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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 azetidin-3-amine dihydrochloride
Molecule
Compound Number
MolPort-000-000-465
IUPAC
azetidin-3-amine dihydrochloride
Chemical Data
SMILES: Cl.Cl.NC1CNC1
InChI Key: OOSDLMAZIRAMDN-UHFFFAOYAZ
Molecular Formula: C3H10Cl2N2
Molecular Weight: 145.031
 
2. Seperator propanebis(imidamide)
Molecule
Compound Number
MolPort-000-000-433
IUPAC
propanebis(imidamide)
Chemical Data
SMILES: NC(=N)CC(N)=N
InChI Key: PVFQGWOQUCAAIX-UHFFFAOYAZ
Molecular Formula: C3H8N4
Molecular Weight: 100.1224
 
3. Seperator 2-hydroxy-1,1-dimethylguanidine
Molecule
Compound Number
MolPort-000-000-434
IUPAC
2-hydroxy-1,1-dimethylguanidine
Chemical Data
SMILES: CN(C)C(\N)=N/O
InChI Key: DIYFQRUFGISDQH-UHFFFAOYAF
Molecular Formula: C3H9N3O
Molecular Weight: 103.1231
 
4. Seperator 3-amino-1,1,1-trifluoropropan-2-ol, CAS 431-38-9
Molecule
Compound Number
MolPort-000-000-650
CAS Number
431-38-9
IUPAC
3-amino-1,1,1-trifluoropropan-2-ol
Chemical Data
SMILES: NCC(O)C(F)(F)F
InChI Key: RISHBQWFBUTROQ-UHFFFAOYAA
Molecular Formula: C3H6F3NO
Molecular Weight: 129.081
 
5. Seperator 3-amino-2,2-difluoropropanoic acid
Molecule
Compound Number
MolPort-000-000-787
IUPAC
3-amino-2,2-difluoropropanoic acid
Chemical Data
SMILES: NCC(F)(F)C(O)=O
InChI Key: OEXAUVBPMONLBF-UHFFFAOYAZ
Molecular Formula: C3H5F2NO2
Molecular Weight: 125.0741
 
6. Seperator (2S)-3-amino-1,1,1-trifluoropropan-2-ol
Molecule
Compound Number
MolPort-000-001-170
IUPAC
(2S)-3-amino-1,1,1-trifluoropropan-2-ol
Chemical Data
SMILES: NC[C@H](O)C(F)(F)F |r|
InChI Key: RISHBQWFBUTROQ-REOHCLBHBS
Molecular Formula: C3H6F3NO
Molecular Weight: 129.081
 
7. Seperator (2R)-3-amino-1,1,1-trifluoropropan-2-ol
Molecule
Compound Number
MolPort-000-001-171
IUPAC
(2R)-3-amino-1,1,1-trifluoropropan-2-ol
Chemical Data
SMILES: NC[C@@H](O)C(F)(F)F |r|
InChI Key: RISHBQWFBUTROQ-UWTATZPHBC
Molecular Formula: C3H6F3NO
Molecular Weight: 129.081
 
8. Seperator 4-amino-1,2,5-oxadiazole-3-carbonitrile, CAS 156463-85-3
Molecule
Compound Number
MolPort-000-001-251
CAS Number
156463-85-3
IUPAC
4-amino-1,2,5-oxadiazole-3-carbonitrile
Chemical Data
SMILES: Nc1nonc1C#N
InChI Key: SJAYVHFNURJLAG-UHFFFAOYAZ
Molecular Formula: C3H2N4O
Molecular Weight: 110.0742
 
9. Seperator 1-aminopropan-2-one hydrochloride, CAS 7737-17-9
Molecule
Compound Number
MolPort-000-001-252
CAS Number
7737-17-9
IUPAC
1-aminopropan-2-one hydrochloride
Chemical Data
SMILES: Cl.CC(=O)CN
InChI Key: RUCLDQBBIJKQHO-UHFFFAOYAE
Molecular Formula: C3H8ClNO
Molecular Weight: 109.555
 
10. Seperator 4-bromo-1,3-thiazole, CAS 34259-99-9
Molecule
Compound Number
MolPort-000-001-745
CAS Number
34259-99-9
IUPAC
4-bromo-1,3-thiazole
Chemical Data
SMILES: Brc1cscn1
InChI Key: VDTIGYKLTROQAH-UHFFFAOYAY
Molecular Formula: C3H2BrNS
Molecular Weight: 164.024
 
11. Seperator 4-bromo-1,2$l^{6}-oxathiolane-2,2-dione
Molecule
Compound Number
MolPort-000-001-788
IUPAC
4-bromo-1,2$l^{6}-oxathiolane-2,2-dione
Chemical Data
SMILES: BrC1COS(=O)(=O)C1
InChI Key: QWGFMEUQQADOOD-UHFFFAOYAU
Molecular Formula: C3H5BrO3S
Molecular Weight: 201.039
 
12. Seperator 3-chloro-N'-hydroxypropanimidamide
Molecule
Compound Number
MolPort-000-002-477
IUPAC
3-chloro-N'-hydroxypropanimidamide
Chemical Data
SMILES: N\C(CCCl)=N/O
InChI Key: NBVPQGCKFLBWNV-UHFFFAOYAO
Molecular Formula: C3H7ClN2O
Molecular Weight: 122.553
 
13. Seperator 3-chloropropanimidamide hydrochloride
Molecule
Compound Number
MolPort-000-002-483
IUPAC
3-chloropropanimidamide hydrochloride
Chemical Data
SMILES: Cl.NC(=N)CCCl
InChI Key: LRFIDMFTYCHEFX-UHFFFAOYAO
Molecular Formula: C3H8Cl2N2
Molecular Weight: 143.015
 
14. Seperator 3-hydrazinylpropanenitrile
Molecule
Compound Number
MolPort-000-002-489
IUPAC
3-hydrazinylpropanenitrile
Chemical Data
SMILES: NNCCC#N
InChI Key: VIHRIIARIFUQLC-UHFFFAOYAD
Molecular Formula: C3H7N3
Molecular Weight: 85.1078
 
15. Seperator 2-carbamimidoylacetic acid
Molecule
Compound Number
MolPort-000-002-536
IUPAC
2-carbamimidoylacetic acid
Chemical Data
SMILES: NC(=N)CC(O)=O
InChI Key: QHJJSLUZWHFHTK-UHFFFAOYAS
Molecular Formula: C3H6N2O2
Molecular Weight: 102.0919
 
16. Seperator 3-(chloromethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
Molecule
Compound Number
MolPort-000-002-619
IUPAC
3-(chloromethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
Chemical Data
SMILES: ClCc1n[nH]c(=O)[nH]1
InChI Key: ZLRBJVJEQXBAAI-UHFFFAOYAG
Molecular Formula: C3H4ClN3O
Molecular Weight: 133.536
 
17. Seperator 2-amino-3-sulfopropanoic acid, CAS 498-40-8
Molecule
Compound Number
MolPort-000-002-652
CAS Number
498-40-8
IUPAC
2-amino-3-sulfopropanoic acid
Chemical Data
SMILES: NC(CS(O)(=O)=O)C(O)=O
InChI Key: XVOYSCVBGLVSOL-UHFFFAOYAW
Molecular Formula: C3H7NO5S
Molecular Weight: 169.156
 
18. Seperator methyl carbamimidoylformate hydrochloride
Molecule
Compound Number
MolPort-000-002-829
IUPAC
methyl carbamimidoylformate hydrochloride
Chemical Data
SMILES: Cl.COC(=O)C(N)=N
InChI Key: YPQCCPFTUFSOSU-UHFFFAOYAG
Molecular Formula: C3H7ClN2O2
Molecular Weight: 138.553
 
19. Seperator sodium 2-[(hydroxymethyl)amino]acetate, CAS 70161-44-3
Molecule
Compound Number
MolPort-000-002-991
CAS Number
70161-44-3
IUPAC
sodium 2-[(hydroxymethyl)amino]acetate
Chemical Data
SMILES: [Na+].OCNCC([O-])=O
InChI Key: CITBNDNUEPMTFC-REWHXWOFAZ
Molecular Formula: C3H6NNaO3
Molecular Weight: 127.0744
 
20. Seperator N',2-dihydroxypropanimidamide
Molecule
Compound Number
MolPort-000-003-086
IUPAC
N',2-dihydroxypropanimidamide
Chemical Data
SMILES: CC(O)C(\N)=N/O
InChI Key: TWQGERCRJDBWSY-UHFFFAOYAX
Molecular Formula: C3H8N2O2
Molecular Weight: 104.1078
 
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