N-cyclopropyl-3-(methylamino)propanamide hydrochloride

• ChemBase ID: 273525
• Molecular Formular: C7H15ClN2O
• Molecular Mass: 178.6598
• Monoisotopic Mass: 178.08729079
• SMILES: C(=O)(NC1CC1)CCNC.Cl
• Canonical SMILES: CNCCC(=O)NC1CC1.Cl
• InChI: InChI=1S/C7H14N2O.ClH/c1-8-5-4-7(10)9-6-2-3-6;/h6,8H,2-5H2,1H3,(H,9,10);1H
• InChIKey: XDCSCKGEDSCKGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-(methylamino)propanamide hydrochloride
• IUPAC Traditional name: N-cyclopropyl-3-(methylamino)propanamide hydrochloride
• Synonyms: N-cyclopropyl-3-(methylamino)propanamide hydrochloride

Database IDs

• MDL Number: MFCD18785501
• PubChem SID: 164329435
• PubChem CID: 53554917

CALCULATED PROPERTIES

• Acid pKa: 16.079666
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.7847643
• LogD (pH = 7.4): -2.7876923
• Log P: -0.59558445
• Molar Refractivity: 39.4075 cm^3
• Polarizability: 15.631624 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 147 - 149°C
• Hydrophobicity(logP): -0.442

Product Information

• Purity: 95%