tert-butyl N-(2-aminoethyl)-N-propylcarbamate

• ChemBase ID: 268133
• Molecular Formular: C10H22N2O2
• Molecular Mass: 202.29388
• Monoisotopic Mass: 202.16812795
• SMILES: C(=O)(OC(C)(C)C)N(CCN)CCC
• Canonical SMILES: CCCN(C(=O)OC(C)(C)C)CCN
• InChI: InChI=1S/C10H22N2O2/c1-5-7-12(8-6-11)9(13)14-10(2,3)4/h5-8,11H2,1-4H3
• InChIKey: XQUOSTRRFPZQLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(2-aminoethyl)-N-propylcarbamate
• IUPAC Traditional name: tert-butyl N-(2-aminoethyl)-N-propylcarbamate
• Synonyms: tert-butyl N-(2-aminoethyl)-N-propylcarbamate

Database IDs

• MDL Number: MFCD06658368
• PubChem SID: 164324043
• PubChem CID: 14925148

CALCULATED PROPERTIES

• LogD (pH = 5.5): -1.7671003
• LogD (pH = 7.4): -0.56549793
• Log P: 1.1726612
• Molar Refractivity: 56.9109 cm^3
• Polarizability: 22.577517 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.282

Product Information

• Purity: 95%