(1-cyclopropylpyrrolidin-3-yl)methanamine hydrochloride

• ChemBase ID: 55177
• Molecular Formular: C8H17ClN2
• Molecular Mass: 176.68698
• Monoisotopic Mass: 176.10802623
• SMILES: C1CN(CC1CN)C1CC1.Cl
• Canonical SMILES: NCC1CCN(C1)C1CC1.Cl
• InChI: InChI=1S/C8H16N2.ClH/c9-5-7-3-4-10(6-7)8-1-2-8;/h7-8H,1-6,9H2;1H
• InChIKey: QCNRDNBOURQMID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-cyclopropylpyrrolidin-3-yl)methanamine hydrochloride
• IUPAC Traditional name: (1-cyclopropylpyrrolidin-3-yl)methanamine hydrochloride
• Synonyms: [(1-Cyclopropylpyrrolidin-3-yl)methyl]amine hydrochloride

Database IDs

• CAS Number: 1017474-07-5
• MDL Number: MFCD13857459
• PubChem SID: 162059940
• PubChem CID: 54758990

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.2342067
• LogD (pH = 7.4): -4.225087
• Log P: -0.07549939
• Molar Refractivity: 42.6993 cm^3
• Polarizability: 17.072641 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false