methyl(3-phenylprop-2-en-1-yl)amine

• ChemBase ID: 143851
• Molecular Formular: C10H13N
• Molecular Mass: 147.21692
• Monoisotopic Mass: 147.10479942
• SMILES: CNC/C=C/c1ccccc1
• Canonical SMILES: CNC/C=C/c1ccccc1
• InChI: InChI=1S/C10H13N/c1-11-9-5-8-10-6-3-2-4-7-10/h2-8,11H,9H2,1H3
• InChIKey: RHPMSSCVPPONDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(3-phenylprop-2-en-1-yl)amine; methyl[(2E)-3-phenylprop-2-en-1-yl]amine
• IUPAC Traditional name: methyl(3-phenylprop-2-en-1-yl)amine; methyl[(2E)-3-phenylprop-2-en-1-yl]amine
• Synonyms: N-Methyl-3-phenyl-2-propen-1-amine; N-methyl-3-phenyl-2-propen-1-amine

Database IDs

• CAS Number: 83554-67-0
• MDL Number: MFCD07404968
• PubChem SID: 162238068
• PubChem CID: 6387604

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0230236
• LogD (pH = 7.4): 0.11381638
• Log P: 2.1415102
• Molar Refractivity: 49.6246 cm^3
• Polarizability: 19.145412 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C10H13N

DETAILS

Sigma Aldrich - CBR00124

Other Notes
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Legal Information
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