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   Molecular Formula Containing: C1   C2   C3   C4   C5   C6   C7   C8   C9   C10   more...
   MolPort ID in Ranges: starting with:   000-000-000   001-000-000   002-000-000   003-000-000   004-000-000   more...
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1. Seperator (2-aminopyridin-4-yl)methanol, CAS 105250-17-7
Molecule
Compound Number
MolPort-000-000-458
CAS Number
105250-17-7
IUPAC
(2-aminopyridin-4-yl)methanol
Chemical Data
SMILES: Nc1cc(CO)ccn1
InChI Key: ZRJJXXDQIQFZBW-UHFFFAOYAJ
Molecular Formula: C6H8N2O
Molecular Weight: 124.1405
 
2. Seperator 3-aminopyridine-4-carboxylic acid, CAS 7579-20-6
Molecule
Compound Number
MolPort-000-000-464
CAS Number
7579-20-6
IUPAC
3-aminopyridine-4-carboxylic acid
Chemical Data
SMILES: Nc1cnccc1C(O)=O
InChI Key: FYEQKMAVRYRMBL-UHFFFAOYAP
Molecular Formula: C6H6N2O2
Molecular Weight: 138.124
 
3. Seperator 2-aminopyridine-4-carboxamide, CAS 13538-42-6
Molecule
Compound Number
MolPort-000-000-468
CAS Number
13538-42-6
IUPAC
2-aminopyridine-4-carboxamide
Chemical Data
SMILES: NC(=O)c1ccnc(N)c1
InChI Key: AGSDASDGMNDAIE-UHFFFAOYAN
Molecular Formula: C6H7N3O
Molecular Weight: 137.1393
 
4. Seperator 1-[5-(dihydroxyboranyl)furan-2-yl]ethan-1-one
Molecule
Compound Number
MolPort-000-000-469
IUPAC
1-[5-(dihydroxyboranyl)furan-2-yl]ethan-1-one
Chemical Data
SMILES: CC(=O)c1ccc(o1)B(O)O
InChI Key: NQIKSGTUOSWVAK-UHFFFAOYAO
Molecular Formula: C6H7BO4
Molecular Weight: 153.928
 
5. Seperator 1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethan-1-one, CAS 30748-47-1
Molecule
Compound Number
MolPort-000-000-453
CAS Number
30748-47-1
IUPAC
1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethan-1-one
Chemical Data
SMILES: CC(=O)c1sc(N)nc1C
InChI Key: PKUKCASRNJIQNU-UHFFFAOYAC
Molecular Formula: C6H8N2OS
Molecular Weight: 156.206
 
6. Seperator 2-amino-2-(4-methyl-1H-imidazol-5-yl)acetic acid
Molecule
Compound Number
MolPort-000-000-408
IUPAC
2-amino-2-(4-methyl-1H-imidazol-5-yl)acetic acid
Chemical Data
SMILES: Cc1nc[nH]c1C(N)C(O)=O
InChI Key: LIOPTBCOZGZWHL-UHFFFAOYAX
Molecular Formula: C6H9N3O2
Molecular Weight: 155.1546
 
7. Seperator 2-amino-2-(furan-2-yl)acetic acid
Molecule
Compound Number
MolPort-000-000-409
IUPAC
2-amino-2-(furan-2-yl)acetic acid
Chemical Data
SMILES: NC(C(O)=O)c1ccco1
InChI Key: DYFYPSCJKBYYNK-UHFFFAOYAV
Molecular Formula: C6H7NO3
Molecular Weight: 141.1247
 
8. Seperator 4-amino-1,2,5,6-tetrahydropyridine-3-carbonitrile
Molecule
Compound Number
MolPort-000-000-398
IUPAC
4-amino-1,2,5,6-tetrahydropyridine-3-carbonitrile
Chemical Data
SMILES: NC1=C(CNCC1)C#N |t:1|
InChI Key: SNDHGRMHEXOIHX-UHFFFAOYAN
Molecular Formula: C6H9N3
Molecular Weight: 123.1558
 
9. Seperator azepan-4-ol
Molecule
Compound Number
MolPort-000-000-403
IUPAC
azepan-4-ol
Chemical Data
SMILES: OC1CCCNCC1
InChI Key: JKYGZQCMFANMFM-UHFFFAOYAA
Molecular Formula: C6H13NO
Molecular Weight: 115.1735
 
10. Seperator 4-aminopiperidine-4-carboxylic acid, CAS 40951-39-1
Molecule
Compound Number
MolPort-000-000-386
CAS Number
40951-39-1
IUPAC
4-aminopiperidine-4-carboxylic acid
Chemical Data
SMILES: NC1(CCNCC1)C(O)=O
InChI Key: KHABBYNLBYZCKP-UHFFFAOYAN
Molecular Formula: C6H12N2O2
Molecular Weight: 144.1717
 
11. Seperator 2-amino-3-methoxy-2-(methoxymethyl)propanoic acid
Molecule
Compound Number
MolPort-000-000-367
IUPAC
2-amino-3-methoxy-2-(methoxymethyl)propanoic acid
Chemical Data
SMILES: COCC(N)(COC)C(O)=O
InChI Key: WDVZXRRARVJKFS-UHFFFAOYAT
Molecular Formula: C6H13NO4
Molecular Weight: 163.1717
 
12. Seperator (1-aminocyclopentyl)methanol, CAS 10316-79-7
Molecule
Compound Number
MolPort-000-000-374
CAS Number
10316-79-7
IUPAC
(1-aminocyclopentyl)methanol
Chemical Data
SMILES: NC1(CO)CCCC1
InChI Key: PDNZJLMPXLQDPL-UHFFFAOYAV
Molecular Formula: C6H13NO
Molecular Weight: 115.1735
 
13. Seperator 7-azabicyclo[2.2.1]heptan-7-ium chloride
Molecule
Compound Number
MolPort-000-000-358
IUPAC
7-azabicyclo[2.2.1]heptan-7-ium chloride
Chemical Data
SMILES: [Cl-].C1CC2CCC1[NH2+]2
InChI Key: JQHCKZLQJDVZPH-UHFFFAOYAN
Molecular Formula: C6H12ClN
Molecular Weight: 133.619
 
14. Seperator 2-(morpholin-2-yl)ethan-1-amine
Molecule
Compound Number
MolPort-000-000-362
IUPAC
2-(morpholin-2-yl)ethan-1-amine
Chemical Data
SMILES: NCCC1CNCCO1
InChI Key: IYAWBVSACPDZBW-UHFFFAOYAB
Molecular Formula: C6H14N2O
Molecular Weight: 130.1882
 
15. Seperator 4-(pentafluoro-$l^{6}-sulfanyl)aniline
Molecule
Compound Number
MolPort-000-000-347
IUPAC
4-(pentafluoro-$l^{6}-sulfanyl)aniline
Chemical Data
SMILES: Nc1ccc(cc1)S(F)(F)(F)(F)F
InChI Key: MZGZUHNSMNNSRJ-UHFFFAOYAT
Molecular Formula: C6H6F5NS
Molecular Weight: 219.176
 
16. Seperator 3-(pentafluoro-$l^{6}-sulfanyl)aniline, CAS 2993-22-8
Molecule
Compound Number
MolPort-000-000-348
CAS Number
2993-22-8
IUPAC
3-(pentafluoro-$l^{6}-sulfanyl)aniline
Chemical Data
SMILES: Nc1cccc(c1)S(F)(F)(F)(F)F
InChI Key: n/a
Molecular Formula: C6H6F5NS
Molecular Weight: 219.176
 
17. Seperator 3-aminocyclopentane-1-carboxylic acid, CAS 89614-96-0
Molecule
Compound Number
MolPort-000-000-328
CAS Number
89614-96-0
IUPAC
3-aminocyclopentane-1-carboxylic acid
Chemical Data
SMILES: NC1CCC(C1)C(O)=O
InChI Key: MLLSSTJTARJLHK-UHFFFAOYAW
Molecular Formula: C6H11NO2
Molecular Weight: 129.157
 
18. Seperator ethyl 5-amino-1,2-oxazole-4-carboxylate, CAS 34859-64-8
Molecule
Compound Number
MolPort-000-000-315
CAS Number
34859-64-8
IUPAC
ethyl 5-amino-1,2-oxazole-4-carboxylate
Chemical Data
SMILES: CCOC(=O)c1cnoc1N
InChI Key: HKXQLDZBVOTKEJ-UHFFFAOYAE
Molecular Formula: C6H8N2O3
Molecular Weight: 156.1393
 
19. Seperator methyl 1-aminocyclobutane-1-carboxylate hydrochloride, CAS 92398-47-5
Molecule
Compound Number
MolPort-000-000-324
CAS Number
92398-47-5
IUPAC
methyl 1-aminocyclobutane-1-carboxylate hydrochloride
Chemical Data
SMILES: Cl.COC(=O)C1(N)CCC1
InChI Key: LLCSDOKIBIMJNU-UHFFFAOYAT
Molecular Formula: C6H12ClNO2
Molecular Weight: 165.618
 
20. Seperator 3-aminocyclohex-2-en-1-one, CAS 5220-49-5
Molecule
Compound Number
MolPort-000-000-303
CAS Number
5220-49-5
IUPAC
3-aminocyclohex-2-en-1-one
Chemical Data
SMILES: NC1=CC(=O)CCC1 |t:1|
InChI Key: ZZMRPOAHZITKBV-UHFFFAOYAQ
Molecular Formula: C6H9NO
Molecular Weight: 111.1418
 
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