3-(aminomethyl)-3-ethylpentane hydrochloride

• ChemBase ID: 237957
• Molecular Formular: C8H20ClN
• Molecular Mass: 165.7041
• Monoisotopic Mass: 165.12842733
• SMILES: C(CN)(CC)(CC)CC.Cl
• Canonical SMILES: CCC(CN)(CC)CC.Cl
• InChI: InChI=1S/C8H19N.ClH/c1-4-8(5-2,6-3)7-9;/h4-7,9H2,1-3H3;1H
• InChIKey: OORRFKKLNUOKGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(aminomethyl)-3-ethylpentane hydrochloride
• IUPAC Traditional name: 3-(aminomethyl)-3-ethylpentane hydrochloride
• Synonyms: 3-(aminomethyl)-3-ethylpentane hydrochloride

Database IDs

• MDL Number: MFCD22375312
• PubChem SID: 164293867
• PubChem CID: 71756050

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.684549
• LogD (pH = 7.4): -0.06364637
• Log P: 2.3305511
• Molar Refractivity: 41.8641 cm^3
• Polarizability: 17.036163 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 236 - 238°C
• Hydrophobicity(logP): 2.779

Product Information

• Purity: 95%