3-ethylpentan-3-amine hydrochloride

• ChemBase ID: 279202
• Molecular Formular: C7H18ClN
• Molecular Mass: 151.67752
• Monoisotopic Mass: 151.11277726
• SMILES: C(N)(CC)(CC)CC.Cl
• Canonical SMILES: CCC(CC)(CC)N.Cl
• InChI: InChI=1S/C7H17N.ClH/c1-4-7(8,5-2)6-3;/h4-6,8H2,1-3H3;1H
• InChIKey: ZCIKRRUYIBTLOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethylpentan-3-amine hydrochloride
• IUPAC Traditional name: 3-ethylpentan-3-amine hydrochloride
• Synonyms: 3-ethylpentan-3-amine hydrochloride

Database IDs

• MDL Number: MFCD01709390
• PubChem SID: 164335112
• PubChem CID: 3043701

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0344881
• LogD (pH = 7.4): -0.8698439
• Log P: 1.996068
• Molar Refractivity: 37.2964 cm^3
• Polarizability: 15.189125 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 329 - 331°C
• Hydrophobicity(logP): 2.16

Product Information

• Purity: 95%