(2S)-2-aminopropanenitrile hydrochloride

• ChemBase ID: 244185
• Molecular Formular: C3H7ClN2
• Molecular Mass: 106.55408
• Monoisotopic Mass: 106.02977591
• SMILES: N#C[C@@H](N)C.Cl
• Canonical SMILES: C[C@@H](C#N)N.Cl
• InChI: InChI=1S/C3H6N2.ClH/c1-3(5)2-4;/h3H,5H2,1H3;1H/t3-;/m0./s1
• InChIKey: WJGQCCPNVRCAQI-DFWYDOINSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-aminopropanenitrile hydrochloride
• IUPAC Traditional name: (S)-α-aminopropionitrile hydrochloride
• Synonyms: (2S)-2-aminopropanenitrile hydrochloride

Database IDs

• MDL Number: MFCD22628467
• PubChem SID: 164300095
• PubChem CID: 71757440

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.684846
• LogD (pH = 7.4): -0.59015536
• Log P: -0.52076244
• Molar Refractivity: 19.4766 cm^3
• Polarizability: 7.62496 Å^3
• Polar Surface Area: 49.81 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.073

Product Information

• Purity: 95%