5-(aminomethyl)-N,N,1-trimethyl-1H-imidazol-2-amine

• ChemBase ID: 274292
• Molecular Formular: C7H14N4
• Molecular Mass: 154.21286
• Monoisotopic Mass: 154.12184647
• SMILES: c1(n(c(cn1)CN)C)N(C)C
• Canonical SMILES: NCc1cnc(n1C)N(C)C
• InChI: InChI=1S/C7H14N4/c1-10(2)7-9-5-6(4-8)11(7)3/h5H,4,8H2,1-3H3
• InChIKey: SZHQGRXHKRQMLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(aminomethyl)-N,N,1-trimethyl-1H-imidazol-2-amine
• IUPAC Traditional name: 5-(aminomethyl)-N,N,1-trimethylimidazol-2-amine
• Synonyms: 5-(aminomethyl)-N,N,1-trimethyl-1H-imidazol-2-amine

Database IDs

• MDL Number: MFCD09935496
• PubChem SID: 164330202
• PubChem CID: 24696807

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): -3.4691195
• LogD (pH = 7.4): -1.562825
• Log P: -0.08348472
• Molar Refractivity: 46.1623 cm^3
• Polarizability: 17.088018 Å^3
• Polar Surface Area: 47.08 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 3

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.346

Product Information

• Purity: 95%