dicyclopropylmethanamine hydrochloride

• ChemBase ID: 74373
• Molecular Formular: C7H14ClN
• Molecular Mass: 147.64576
• Monoisotopic Mass: 147.08147713
• SMILES: NC(C1CC1)C1CC1.Cl
• Canonical SMILES: NC(C1CC1)C1CC1.Cl
• InChI: InChI=1S/C7H13N.ClH/c8-7(5-1-2-5)6-3-4-6;/h5-7H,1-4,8H2;1H
• InChIKey: BWWAFTOJAINBHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dicyclopropylmethanamine hydrochloride
• IUPAC Traditional name: dicyclopropylmethanamine hydrochloride
• Synonyms: Dicyclopropylmethylamine hydrochloride; 1,1-dicyclopropylmethanamine hydrochloride

Database IDs

• CAS Number: 13375-29-6
• MDL Number: MFCD08059568
• PubChem SID: 162039292
• PubChem CID: 16613886

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.0334065
• LogD (pH = 7.4): -1.7871872
• Log P: 0.9954628
• Molar Refractivity: 33.473 cm^3
• Polarizability: 13.705201 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 33 - 36°C
• Hydrophobicity(logP): 1.062

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%
• Salt Data: HCl