N,1-dimethyl-1H-imidazol-2-amine

• ChemBase ID: 117589
• Molecular Formular: C5H9N3
• Molecular Mass: 111.14506
• Monoisotopic Mass: 111.0796473
• SMILES: c1(n(ccn1)C)NC
• Canonical SMILES: CNc1nccn1C
• InChI: InChI=1S/C5H9N3/c1-6-5-7-3-4-8(5)2/h3-4H,1-2H3,(H,6,7)
• InChIKey: RLXLWFPRNNKNMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,1-dimethyl-1H-imidazol-2-amine
• IUPAC Traditional name: N,1-dimethylimidazol-2-amine
• Synonyms: N,1-dimethyl-1H-imidazol-2-amine hydrochloride

Database IDs

• MDL Number: MFCD05664670
• PubChem SID: 162102497
• PubChem CID: 45496586

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.8262191
• LogD (pH = 7.4): -0.3745601
• Log P: 0.23548
• Molar Refractivity: 33.5766 cm^3
• Polarizability: 11.885633 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.046

Product Information

• Purity: 95+%
• Salt Data: HCl