2-amino-N-cyclopropylacetamide hydrochloride

• ChemBase ID: 143799
• Molecular Formular: C5H11ClN2O
• Molecular Mass: 150.60664
• Monoisotopic Mass: 150.05599066
• SMILES: C1CC1NC(=O)CN.Cl
• Canonical SMILES: NCC(=O)NC1CC1.Cl
• InChI: InChI=1S/C5H10N2O.ClH/c6-3-5(8)7-4-1-2-4;/h4H,1-3,6H2,(H,7,8);1H
• InChIKey: DYXKHNOFSUODKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-cyclopropylacetamide hydrochloride
• IUPAC Traditional name: 2-amino-N-cyclopropylacetamide hydrochloride
• Synonyms: N1-Cyclopropylglycinamide hydrochloride; 2-amino-N-cyclopropylacetamide hydrochloride

Database IDs

• CAS Number: 120436-02-4
• MDL Number: MFCD07323617
• PubChem SID: 162238016
• PubChem CID: 16249406

CALCULATED PROPERTIES

• Acid pKa: 15.6869955
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.7579994
• LogD (pH = 7.4): -2.0747962
• Log P: -1.2651776
• Molar Refractivity: 29.9335 cm^3
• Polarizability: 11.95924 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169 - 171°C
• Hydrophobicity(logP): -1.251

Product Information

• Purity: 95%
• Salt Data: HCl
• Empirical Formula (Hill Notation): C5H11ClN2O

DETAILS

Sigma Aldrich - CBR00910

Other Notes
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