(cyclopropylmethyl)(methyl)amine

• ChemBase ID: 60297
• Molecular Formular: C5H11N
• Molecular Mass: 85.14754
• Monoisotopic Mass: 85.08914936
• SMILES: C1CC1CNC
• Canonical SMILES: CNCC1CC1
• InChI: InChI=1S/C5H11N/c1-6-4-5-2-3-5/h5-6H,2-4H2,1H3
• InChIKey: BFPMCZWKUSUMKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclopropylmethyl)(methyl)amine
• IUPAC Traditional name: (cyclopropylmethyl)(methyl)amine
• Synonyms: (Cyclopropylmethyl)methylamine; (cyclopropylmethyl)(methyl)amine; (Cyclopropylmethyl)methylamine

Database IDs

• CAS Number: 18977-45-2
• MDL Number: MFCD11150443
• PubChem SID: 162026038
• PubChem CID: 12919209

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.6481287
• LogD (pH = 7.4): -2.3238537
• Log P: 0.5876988
• Molar Refractivity: 26.6354 cm^3
• Polarizability: 10.75224 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.455

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C5H11N

DETAILS

Sigma Aldrich - CBR00064

Other Notes
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Legal Information
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