2-methylcyclopropan-1-amine hydrate hydrochloride

• ChemBase ID: 261943
• Molecular Formular: C4H12ClNO
• Molecular Mass: 125.59718
• Monoisotopic Mass: 125.06074169
• SMILES: C1(CC1C)N.Cl.O
• Canonical SMILES: CC1CC1N.O.Cl
• InChI: InChI=1S/C4H9N.ClH.H2O/c1-3-2-4(3)5;;/h3-4H,2,5H2,1H3;1H;1H2
• InChIKey: ZUQCNWVXBYUXCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylcyclopropan-1-amine hydrate hydrochloride
• IUPAC Traditional name: 2-methylcyclopropan-1-amine hydrate hydrochloride
• Synonyms: 2-methylcyclopropan-1-amine hydrate hydrochloride

Database IDs

• MDL Number: MFCD12913032
• PubChem SID: 164317853
• PubChem CID: 45791937

CALCULATED PROPERTIES

• Molar Refractivity: 21.6016 cm^3
• Polarizability: 8.905697 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.8153834
• LogD (pH = 7.4): -2.3038142
• Log P: 0.2050785

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.439

Product Information

• Purity: 95%