N-propylcyclopentanamine hydrochloride

• ChemBase ID: 21872
• Molecular Formular: C8H18ClN
• Molecular Mass: 163.68822
• Monoisotopic Mass: 163.11277726
• SMILES: N(C1CCCC1)CCC.Cl
• Canonical SMILES: CCCNC1CCCC1.Cl
• InChI: InChI=1S/C8H17N.ClH/c1-2-7-9-8-5-3-4-6-8;/h8-9H,2-7H2,1H3;1H
• InChIKey: NPRACTLCVYPJPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-propylcyclopentanamine hydrochloride
• IUPAC Traditional name: N-propylcyclopentanamine hydrochloride
• Synonyms: N-Propylcyclopentanamine hydrochloride; N-Cyclopentyl-N-propylamine hydrochloride

Database IDs

• MDL Number: MFCD08559371
• PubChem SID: 160985179
• PubChem CID: 16641265

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1976566
• LogD (pH = 7.4): -0.99965966
• Log P: 2.0411537
• Molar Refractivity: 40.3792 cm^3
• Polarizability: 16.292534 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C8H18ClN

DETAILS

Sigma Aldrich - CBR00869

Other Notes
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Legal Information
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