cyclopropyl(1-methyl-1H-imidazol-2-yl)methanamine

• ChemBase ID: 50922
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: c1(n(ccn1)C)C(C1CC1)N
• Canonical SMILES: NC(c1nccn1C)C1CC1
• InChI: InChI=1S/C8H13N3/c1-11-5-4-10-8(11)7(9)6-2-3-6/h4-7H,2-3,9H2,1H3
• InChIKey: UQAHJVSDSGXTPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopropyl(1-methyl-1H-imidazol-2-yl)methanamine
• IUPAC Traditional name: cyclopropyl(1-methylimidazol-2-yl)methanamine
• Synonyms: 1-cyclopropyl-1-(1-methyl-1H-imidazol-2-yl)methanamine; C-Cyclopropyl-C-(1-methyl-1H-imidazol-2-yl)-methylamine; cyclopropyl(1-methyl-1H-imidazol-2-yl)methanamine

Database IDs

• CAS Number: 927986-30-9
• MDL Number: MFCD09261515
• PubChem SID: 162055685
• PubChem CID: 16641495

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4137466
• LogD (pH = 7.4): -0.83148116
• Log P: 0.26992032
• Molar Refractivity: 43.3972 cm^3
• Polarizability: 17.062237 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.308

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%