tert-butyl(propyl)amine hydrochloride

• ChemBase ID: 261622
• Molecular Formular: C7H18ClN
• Molecular Mass: 151.67752
• Monoisotopic Mass: 151.11277726
• SMILES: C(NCCC)(C)(C)C.Cl
• Canonical SMILES: CCCNC(C)(C)C.Cl
• InChI: InChI=1S/C7H17N.ClH/c1-5-6-8-7(2,3)4;/h8H,5-6H2,1-4H3;1H
• InChIKey: PAONSUXLFOSFKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl(propyl)amine hydrochloride
• IUPAC Traditional name: tert-butyl(propyl)amine hydrochloride
• Synonyms: tert-butyl(propyl)amine hydrochloride

Database IDs

• MDL Number: MFCD12912939
• PubChem SID: 164317532
• PubChem CID: 21421210

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.4980204
• LogD (pH = 7.4): -1.2817612
• Log P: 1.7404115
• Molar Refractivity: 37.7716 cm^3
• Polarizability: 15.189125 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 210 - 212°C
• Hydrophobicity(logP): 1.777

Product Information

• Purity: 95%