tert-butyl N-(2-amino-1-cyclopropylethyl)carbamate

• ChemBase ID: 259876
• Molecular Formular: C10H20N2O2
• Molecular Mass: 200.278
• Monoisotopic Mass: 200.15247789
• SMILES: C(=O)(NC(C1CC1)CN)OC(C)(C)C
• Canonical SMILES: NCC(C1CC1)NC(=O)OC(C)(C)C
• InChI: InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8(6-11)7-4-5-7/h7-8H,4-6,11H2,1-3H3,(H,12,13)
• InChIKey: YXKXVKFAISFJPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(2-amino-1-cyclopropylethyl)carbamate
• IUPAC Traditional name: tert-butyl N-(2-amino-1-cyclopropylethyl)carbamate
• Synonyms: tert-butyl N-(2-amino-1-cyclopropylethyl)carbamate

Database IDs

• MDL Number: MFCD16664908
• PubChem SID: 164315786
• PubChem CID: 54592443

CALCULATED PROPERTIES

• Acid pKa: 14.892634
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.0337303
• LogD (pH = 7.4): -0.84765935
• Log P: 0.9099991
• Molar Refractivity: 54.3538 cm^3
• Polarizability: 21.854008 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 57 - 59°C
• Hydrophobicity(logP): 1.34

Product Information

• Purity: 95%