2-methylpropanimidamide hydrochloride

• ChemBase ID: 84405
• Molecular Formular: C4H11ClN2
• Molecular Mass: 122.59654
• Monoisotopic Mass: 122.06107604
• SMILES: N=C(N)C(C)C.Cl
• Canonical SMILES: CC(C(=N)N)C.Cl
• InChI: InChI=1S/C4H10N2.ClH/c1-3(2)4(5)6;/h3H,1-2H3,(H3,5,6);1H
• InChIKey: VWXLCWNPSOUPPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylpropanimidamide hydrochloride
• IUPAC Traditional name: 2-methylpropanimidamide hydrochloride
• Synonyms: Isobutyramidine hydrochloride; 2-Methylpropanimidamide hydrochloride; Isobutanamidine hydrochloride; 2-methylpropanimidamide hydrochloride; isobutyrimidamide hydrochloride

Database IDs

• CAS Number: 22007-68-7
• MDL Number: MFCD00173787
• PubChem SID: 162071521
• PubChem CID: 2782053

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

• Melting Point: 156 - 158°C; 159-162°C
• Hydrophobicity(logP): -0.386

Safety Information

• Storage Warning: Irritant/Moisture Sensitive/Store under Argon

Product Information

• Purity: 90%; 95%
• Salt Data: HCl