ethyl(pentan-3-yl)amine hydrochloride

• ChemBase ID: 55193
• Molecular Formular: C7H18ClN
• Molecular Mass: 151.67752
• Monoisotopic Mass: 151.11277726
• SMILES: N(C(CC)CC)CC.Cl
• Canonical SMILES: CCNC(CC)CC.Cl
• InChI: InChI=1S/C7H17N.ClH/c1-4-7(5-2)8-6-3;/h7-8H,4-6H2,1-3H3;1H
• InChIKey: XKKWLFNGNNPKGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl(pentan-3-yl)amine hydrochloride
• IUPAC Traditional name: ethyl(pentan-3-yl)amine hydrochloride
• Synonyms: N-Ethylpentan-3-amine hydrochloride

Database IDs

• CAS Number: 39190-77-7
• MDL Number: MFCD13186318
• PubChem SID: 162059956
• PubChem CID: 19433827

CALCULATED PROPERTIES

• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2562928
• LogD (pH = 7.4): -1.050468
• Log P: 1.9823573
• Molar Refractivity: 37.6574 cm^3
• Polarizability: 15.189125 Å^3

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false