heptan-2-amine hydrochloride

• ChemBase ID: 291822
• Molecular Formular: C7H18ClN
• Molecular Mass: 151.67752
• Monoisotopic Mass: 151.11277726
• SMILES: Cl.CCCCCC(C)N
• Canonical SMILES: CCCCCC(N)C.Cl
• InChI: InChI=1S/C7H17N.ClH/c1-3-4-5-6-7(2)8;/h7H,3-6,8H2,1-2H3;1H
• InChIKey: JOPQZCZKKFHRNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: heptan-2-amine hydrochloride
• IUPAC Traditional name: tuaminoheptane hydrochloride
• Synonyms: Heptan-2-amine hydrochloride

Database IDs

• CAS Number: 123-82-0
• MDL Number: MFCD00008101
• PubChem SID: 180677353
• PubChem CID: 18686558

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0235083
• LogD (pH = 7.4): -0.727207
• Log P: 2.0041525
• Molar Refractivity: 37.4132 cm^3
• Polarizability: 15.189125 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%