hydrogen methyl 3-aminopropanoate chloride

• ChemBase ID: 294402
• Molecular Formular: C4H9ClNO2-
• Molecular Mass: 138.57276
• Monoisotopic Mass: 138.03218121
• SMILES: C(CN)C(=O)OC.[Cl-]
• Canonical SMILES: COC(=O)CCN.[Cl-]
• InChI: InChI=1S/C4H9NO2.ClH/c1-7-4(6)2-3-5;/h2-3,5H2,1H3;1H/p-1
• InChIKey: XPGRZDJXVKFLHQ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: hydrogen methyl 3-aminopropanoate chloride
• IUPAC Traditional name: hydrogen methyl 3-aminopropanoate chloride
• Synonyms: Methyl 3-aminopropionate hydrochloride

Database IDs

• CAS Number: 3196-73-4
• MDL Number: MFCD00039060
• PubChem SID: 180679933
• PubChem CID: 73994955

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.7278106
• LogD (pH = 7.4): -2.630606
• Log P: -0.76456875
• Molar Refractivity: 25.4719 cm^3
• Polarizability: 10.418138 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%