methyl 1-(aminomethyl)cyclopropane-1-carboxylate

• ChemBase ID: 804570
• Molecular Formular: C6H11NO2
• Molecular Mass: 129.15704
• Monoisotopic Mass: 129.0789786
• SMILES: C1(CC1)(C(=O)OC)CN
• Canonical SMILES: NCC1(CC1)C(=O)OC
• InChI: InChI=1S/C6H11NO2/c1-9-5(8)6(4-7)2-3-6/h2-4,7H2,1H3
• InChIKey: JQIHWQKTYOKPMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 1-(aminomethyl)cyclopropane-1-carboxylate
• IUPAC Traditional name: methyl 1-(aminomethyl)cyclopropane-1-carboxylate
• Synonyms: 1-AMINOMETHYL-CYCLOPROPANECARBOXYLIC ACID METHYL ESTER

Database IDs

• CAS Number: 914226-26-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0979965
• LogD (pH = 7.4): -2.0303407
• Log P: -0.12929408
• Molar Refractivity: 32.7452 cm^3
• Polarizability: 13.364334 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%