2-methylpropanimidamide

• ChemBase ID: 261630
• Molecular Formular: C4H10N2
• Molecular Mass: 86.1356
• Monoisotopic Mass: 86.08439833
• SMILES: C(=N)(N)C(C)C
• Canonical SMILES: CC(C(=N)N)C
• InChI: InChI=1S/C4H10N2/c1-3(2)4(5)6/h3H,1-2H3,(H3,5,6)
• InChIKey: NDAJNMAAXXIADY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylpropanimidamide
• IUPAC Traditional name: 2-methylpropanimidamide
• Synonyms: 2-methylpropanimidamide; 2-METHYLPROPIONAMIDINE

Database IDs

• CAS Number: 57536-10-4; 22007-68-7
• MDL Number: MFCD00939260
• PubChem SID: 164317540
• PubChem CID: 415118

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.1323926
• LogD (pH = 7.4): -2.1320603
• Log P: 0.28306198
• Molar Refractivity: 36.2614 cm^3
• Polarizability: 9.959052 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.386

Product Information

• Purity: 95%; 98%