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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-(aminomethyl)-4-chloroaniline
Molecule
Compound Number
MolPort-000-000-443
IUPAC
2-(aminomethyl)-4-chloroaniline
Chemical Data
SMILES: NCc1cc(Cl)ccc1N
InChI Key: DUDVJYRAOLMJLK-UHFFFAOYAH
Molecular Formula: C7H9ClN2
Molecular Weight: 156.613
 
2. Seperator 4-amino-3-chlorobenzoic acid, CAS 2486-71-7
Molecule
Compound Number
MolPort-000-000-444
CAS Number
2486-71-7
IUPAC
4-amino-3-chlorobenzoic acid
Chemical Data
SMILES: Nc1ccc(cc1Cl)C(O)=O
InChI Key: YIYBPEDZAUFQLO-UHFFFAOYAH
Molecular Formula: C7H6ClNO2
Molecular Weight: 171.581
 
3. Seperator 2-amino-5-bromobenzonitrile, CAS 39263-32-6
Molecule
Compound Number
MolPort-000-000-448
CAS Number
39263-32-6
IUPAC
2-amino-5-bromobenzonitrile
Chemical Data
SMILES: Nc1ccc(Br)cc1C#N
InChI Key: OATYCBHROMXWJO-UHFFFAOYAX
Molecular Formula: C7H5BrN2
Molecular Weight: 197.032
 
4. Seperator 2-amino-5-chlorobenzonitrile, CAS 5922-60-1
Molecule
Compound Number
MolPort-000-000-451
CAS Number
5922-60-1
IUPAC
2-amino-5-chlorobenzonitrile
Chemical Data
SMILES: Nc1ccc(Cl)cc1C#N
InChI Key: QYRDWARBHMCOAG-UHFFFAOYAW
Molecular Formula: C7H5ClN2
Molecular Weight: 152.581
 
5. Seperator 2-hydroxy-1,1-bis(propan-2-yl)guanidine
Molecule
Compound Number
MolPort-000-000-436
IUPAC
2-hydroxy-1,1-bis(propan-2-yl)guanidine
Chemical Data
SMILES: CC(C)N(C(C)C)C(\N)=N/O
InChI Key: VWDWFRVLJJOANL-UHFFFAOYAR
Molecular Formula: C7H17N3O
Molecular Weight: 159.2294
 
6. Seperator 2-amino-2-(pyridin-4-yl)acetic acid hydrochloride
Molecule
Compound Number
MolPort-000-000-410
IUPAC
2-amino-2-(pyridin-4-yl)acetic acid hydrochloride
Chemical Data
SMILES: Cl.NC(C(O)=O)c1ccncc1
InChI Key: UXXZLMVYTOGJJU-UHFFFAOYAR
Molecular Formula: C7H9ClN2O2
Molecular Weight: 188.612
 
7. Seperator 2-amino-2-(pyridin-3-yl)acetic acid, CAS 59966-29-9
Molecule
Compound Number
MolPort-000-000-411
CAS Number
59966-29-9
IUPAC
2-amino-2-(pyridin-3-yl)acetic acid
Chemical Data
SMILES: NC(C(O)=O)c1cccnc1
InChI Key: WJKDJKGHCRHSLB-UHFFFAOYAV
Molecular Formula: C7H8N2O2
Molecular Weight: 152.1506
 
8. Seperator 2-aminopyridine-3,5-dicarbonitrile, CAS 78473-10-6
Molecule
Compound Number
MolPort-000-000-381
CAS Number
78473-10-6
IUPAC
2-aminopyridine-3,5-dicarbonitrile
Chemical Data
SMILES: Nc1ncc(cc1C#N)C#N
InChI Key: YLZXGBMEWRIPQX-UHFFFAOYAK
Molecular Formula: C7H4N4
Molecular Weight: 144.1335
 
9. Seperator 3-N-(dimethylsulfamoyl)pyridine-3,4-diamine
Molecule
Compound Number
MolPort-000-000-382
IUPAC
3-N-(dimethylsulfamoyl)pyridine-3,4-diamine
Chemical Data
SMILES: CN(C)S(=O)(=O)Nc1cnccc1N
InChI Key: LWDHYNZDGQLMDA-UHFFFAOYAX
Molecular Formula: C7H12N4O2S
Molecular Weight: 216.261
 
10. Seperator (2R)-2-acetamido-3-[(2-hydroxyethyl)sulfanyl]propanoic acid, CAS 84608-41-3
Molecule
Compound Number
MolPort-000-000-383
CAS Number
84608-41-3
IUPAC
(2R)-2-acetamido-3-[(2-hydroxyethyl)sulfanyl]propanoic acid
Chemical Data
SMILES: CC(=O)N[C@@H](CSCCO)C(O)=O |r|
InChI Key: NAYOYSKSFGMFOB-LURJTMIEBK
Molecular Formula: C7H13NO4S
Molecular Weight: 207.247
 
11. Seperator 2-amino-1,3-benzothiazol-6-ol hydrochloride
Molecule
Compound Number
MolPort-000-000-384
IUPAC
2-amino-1,3-benzothiazol-6-ol hydrochloride
Chemical Data
SMILES: Cl.Nc1nc2ccc(O)cc2s1
InChI Key: VLQGGLVKPGDBAH-UHFFFAOYAZ
Molecular Formula: C7H7ClN2OS
Molecular Weight: 202.661
 
12. Seperator (3-methylpyridin-2-yl)methanamine, CAS 153936-26-6
Molecule
Compound Number
MolPort-000-000-388
CAS Number
153936-26-6
IUPAC
(3-methylpyridin-2-yl)methanamine
Chemical Data
SMILES: Cc1cccnc1CN
InChI Key: QNLAYSBIWHHNIT-UHFFFAOYAM
Molecular Formula: C7H10N2
Molecular Weight: 122.1677
 
13. Seperator (3-methylpyridin-4-yl)methanamine dihydrochloride
Molecule
Compound Number
MolPort-000-000-389
IUPAC
(3-methylpyridin-4-yl)methanamine dihydrochloride
Chemical Data
SMILES: Cl.Cl.Cc1cnccc1CN
InChI Key: n/a
Molecular Formula: C7H12Cl2N2
Molecular Weight: 195.09
 
14. Seperator 2-(piperidin-2-yl)ethan-1-amine dihydrochloride
Molecule
Compound Number
MolPort-000-000-376
IUPAC
2-(piperidin-2-yl)ethan-1-amine dihydrochloride
Chemical Data
SMILES: Cl.Cl.NCCC1CCCCN1
InChI Key: n/a
Molecular Formula: C7H18Cl2N2
Molecular Weight: 201.137
 
15. Seperator 2-(piperidin-3-yl)ethan-1-amine dihydrochloride
Molecule
Compound Number
MolPort-000-000-377
IUPAC
2-(piperidin-3-yl)ethan-1-amine dihydrochloride
Chemical Data
SMILES: Cl.Cl.NCCC1CCCNC1
InChI Key: IELZRWMIHYDLTD-UHFFFAOYAJ
Molecular Formula: C7H18Cl2N2
Molecular Weight: 201.137
 
16. Seperator 3-(piperazin-1-yl)propan-1-amine, CAS 34885-02-4
Molecule
Compound Number
MolPort-000-000-351
CAS Number
34885-02-4
IUPAC
3-(piperazin-1-yl)propan-1-amine
Chemical Data
SMILES: NCCCN1CCNCC1
InChI Key: UVLSCMIEPPWCHZ-UHFFFAOYAJ
Molecular Formula: C7H17N3
Molecular Weight: 143.23
 
17. Seperator 3,3-diethoxyprop-1-ene, CAS 3054-95-3
Molecule
Compound Number
MolPort-000-000-360
CAS Number
3054-95-3
IUPAC
3,3-diethoxyprop-1-ene
Chemical Data
SMILES: CCOC(OCC)C=C
InChI Key: MCIPQLOKVXSHTD-UHFFFAOYAI
Molecular Formula: C7H14O2
Molecular Weight: 130.1849
 
18. Seperator 2-amino-6-methylphenol
Molecule
Compound Number
MolPort-000-000-346
IUPAC
2-amino-6-methylphenol
Chemical Data
SMILES: Cc1cccc(N)c1O
InChI Key: ALQKEYVDQYGZDN-UHFFFAOYAH
Molecular Formula: C7H9NO
Molecular Weight: 123.1525
 
19. Seperator 2-formylanilinium chloride
Molecule
Compound Number
MolPort-000-000-327
IUPAC
2-formylanilinium chloride
Chemical Data
SMILES: [Cl-].[NH3+]c1ccccc1C=O
InChI Key: KXXLHPYCPKDAIG-UHFFFAOYAQ
Molecular Formula: C7H8ClNO
Molecular Weight: 157.598
 
20. Seperator 2-(2-aminocyclopentyl)acetic acid hydrochloride
Molecule
Compound Number
MolPort-000-000-329
IUPAC
2-(2-aminocyclopentyl)acetic acid hydrochloride
Chemical Data
SMILES: Cl.NC1CCCC1CC(O)=O
InChI Key: OUAWTTUUAOPHGL-UHFFFAOYAK
Molecular Formula: C7H14ClNO2
Molecular Weight: 179.645
 
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