2-methylcyclopentan-1-amine hydrochloride

• ChemBase ID: 32170
• Molecular Formular: C6H14ClN
• Molecular Mass: 135.63506
• Monoisotopic Mass: 135.08147713
• SMILES: C1(C(CCC1)C)N.Cl
• Canonical SMILES: NC1CCCC1C.Cl
• InChI: InChI=1S/C6H13N.ClH/c1-5-3-2-4-6(5)7;/h5-6H,2-4,7H2,1H3;1H
• InChIKey: UEWUQJCETUWGDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylcyclopentan-1-amine hydrochloride
• IUPAC Traditional name: 2-methylcyclopentan-1-amine hydrochloride
• Synonyms: 2-Methylcyclopentanamine hydrochloride; 2-methylcyclopentan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD10703569
• PubChem SID: 160995477
• PubChem CID: 19101439

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.934254
• LogD (pH = 7.4): -1.6708193
• Log P: 1.0942159
• Molar Refractivity: 30.8036 cm^3
• Polarizability: 12.598926 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 221 - 223°C
• Hydrophobicity(logP): 1.327

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%