1-(dimethylamino)guanidine

• ChemBase ID: 278427
• Molecular Formular: C3H10N4
• Molecular Mass: 102.1383
• Monoisotopic Mass: 102.09054634
• SMILES: C(=N)(NN(C)C)N
• Canonical SMILES: CN(NC(=N)N)C
• InChI: InChI=1S/C3H10N4/c1-7(2)6-3(4)5/h1-2H3,(H4,4,5,6)
• InChIKey: VFQRIMAQYHCKEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(dimethylamino)guanidine
• IUPAC Traditional name: 1-(dimethylamino)guanidine
• Synonyms: 1-(dimethylamino)guanidine

Database IDs

• MDL Number: MFCD19209753
• PubChem SID: 164334337
• PubChem CID: 4637656

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.7183383
• LogD (pH = 7.4): -3.716196
• Log P: -1.3027112
• Molar Refractivity: 49.445 cm^3
• Polarizability: 10.697761 Å^3
• Polar Surface Area: 65.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -2.185

Product Information

• Purity: 95%