tert-butyl 3-(aminomethyl)-3-methylazetidine-1-carboxylate

• ChemBase ID: 310042
• Molecular Formular: C10H20N2O2
• Molecular Mass: 200.278
• Monoisotopic Mass: 200.15247789
• SMILES: N1(C(=O)OC(C)(C)C)CC(C1)(CN)C
• Canonical SMILES: NCC1(C)CN(C1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C10H20N2O2/c1-9(2,3)14-8(13)12-6-10(4,5-11)7-12/h5-7,11H2,1-4H3
• InChIKey: NUSZXESXGDKVCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 3-(aminomethyl)-3-methylazetidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 3-(aminomethyl)-3-methylazetidine-1-carboxylate
• Synonyms: tert-butyl 3-(aminomethyl)-3-methyl-1-azetidinecarboxylate

Database IDs

• CAS Number: 1158758-85-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4192023
• LogD (pH = 7.4): -1.4354056
• Log P: 0.56277156
• Molar Refractivity: 54.7764 cm^3
• Polarizability: 21.854008 Å^3
• Polar Surface Area: 55.56 Å^2