cyclopent-3-en-1-amine hydrochloride

• ChemBase ID: 52881
• Molecular Formular: C5H10ClN
• Molecular Mass: 119.5926
• Monoisotopic Mass: 119.05017701
• SMILES: C1=CCC(C1)N.Cl
• Canonical SMILES: NC1CC=CC1.Cl
• InChI: InChI=1S/C5H9N.ClH/c6-5-3-1-2-4-5;/h1-2,5H,3-4,6H2;1H
• InChIKey: UUABBBRHNAYHLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopent-3-en-1-amine hydrochloride
• IUPAC Traditional name: cyclopent-3-en-1-amine hydrochloride
• Synonyms: 4-Aminocyclopentene hydrochloride; Cyclopent-3-enamine hydrochloride; Cyclopent-3-enylamine hydrochloride

Database IDs

• CAS Number: 91469-55-5
• MDL Number: MFCD01630740
• PubChem SID: 162057644
• PubChem CID: 2756395

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.6596458
• LogD (pH = 7.4): -2.3370786
• Log P: 0.36732134
• Molar Refractivity: 27.4486 cm^3
• Polarizability: 10.519826 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 98%