N-propylcyclopropanamine

• ChemBase ID: 34342
• Molecular Formular: C6H13N
• Molecular Mass: 99.17412
• Monoisotopic Mass: 99.10479942
• SMILES: C1CC1NCCC
• Canonical SMILES: CCCNC1CC1
• InChI: InChI=1S/C6H13N/c1-2-5-7-6-3-4-6/h6-7H,2-5H2,1H3
• InChIKey: DAOWJXCNVJBLNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-propylcyclopropanamine
• IUPAC Traditional name: N-propylcyclopropanamine
• Synonyms: N-Cyclopropyl-N-propylamine; N-Propylcyclopropanamine; N-propylcyclopropanamine

Database IDs

• CAS Number: 73121-93-4
• MDL Number: MFCD09736943
• PubChem SID: 160997649
• PubChem CID: 12094059

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.0787933
• LogD (pH = 7.4): -1.602171
• Log P: 1.1520164
• Molar Refractivity: 31.1772 cm^3
• Polarizability: 12.598926 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.894

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C6H13N

DETAILS

Sigma Aldrich - CBR00141

Other Notes
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Legal Information
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