propyl 3-aminopropanoate hydrochloride

• ChemBase ID: 271618
• Molecular Formular: C6H14ClNO2
• Molecular Mass: 167.63386
• Monoisotopic Mass: 167.07130637
• SMILES: C(=O)(CCN)OCCC.Cl
• Canonical SMILES: CCCOC(=O)CCN.Cl
• InChI: InChI=1S/C6H13NO2.ClH/c1-2-5-9-6(8)3-4-7;/h2-5,7H2,1H3;1H
• InChIKey: SXNJCGIOMXUODG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propyl 3-aminopropanoate hydrochloride
• IUPAC Traditional name: propyl 3-aminopropanoate hydrochloride
• Synonyms: propyl 3-aminopropanoate hydrochloride

Database IDs

• MDL Number: MFCD17977153
• PubChem SID: 164327528
• PubChem CID: 50988221

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8484795
• LogD (pH = 7.4): -1.7512704
• Log P: 0.11476158
• Molar Refractivity: 34.7445 cm^3
• Polarizability: 14.082125 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.659

Product Information

• Purity: 95%