N'-amino-2-methylpropanimidamide hydrochloride

• ChemBase ID: 275048
• Molecular Formular: C4H12ClN3
• Molecular Mass: 137.61118
• Monoisotopic Mass: 137.07197508
• SMILES: C(=N\N)(\N)/C(C)C.Cl
• Canonical SMILES: CC(/C(=N/N)/N)C.Cl
• InChI: InChI=1S/C4H11N3.ClH/c1-3(2)4(5)7-6;/h3H,6H2,1-2H3,(H2,5,7);1H
• InChIKey: DZHMJBYNZJZJMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-amino-2-methylpropanimidamide hydrochloride
• IUPAC Traditional name: N'-amino-2-methylpropanimidamide hydrochloride
• Synonyms: N'-amino-2-methylpropanimidamide hydrochloride

Database IDs

• MDL Number: MFCD10566851
• PubChem SID: 164330958
• PubChem CID: 54593498

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.4236095
• LogD (pH = 7.4): -2.135527
• Log P: -0.013413716
• Molar Refractivity: 30.3306 cm^3
• Polarizability: 11.386848 Å^3
• Polar Surface Area: 64.4 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.03

Product Information

• Purity: 95%