(2,2-dimethylcyclopropyl)methanamine hydrochloride

• ChemBase ID: 273808
• Molecular Formular: C6H14ClN
• Molecular Mass: 135.63506
• Monoisotopic Mass: 135.08147713
• SMILES: C1(CC1CN)(C)C.Cl
• Canonical SMILES: NCC1CC1(C)C.Cl
• InChI: InChI=1S/C6H13N.ClH/c1-6(2)3-5(6)4-7;/h5H,3-4,7H2,1-2H3;1H
• InChIKey: QVXSSFDRTWSKEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,2-dimethylcyclopropyl)methanamine hydrochloride
• IUPAC Traditional name: (2,2-dimethylcyclopropyl)methanamine hydrochloride
• Synonyms: (2,2-dimethylcyclopropyl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD18785559
• PubChem SID: 164329718
• PubChem CID: 53433526

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.2817676
• LogD (pH = 7.4): -1.8609427
• Log P: 0.74218464
• Molar Refractivity: 30.8845 cm^3
• Polarizability: 12.598926 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.607

Product Information

• Purity: 95%