2-[(propan-2-ylidene)amino]guanidine hydrochloride

• ChemBase ID: 81911
• Molecular Formular: C4H11ClN4
• Molecular Mass: 150.60994
• Monoisotopic Mass: 150.06722405
• SMILES: N(=C(N)N)N=C(C)C.Cl
• Canonical SMILES: CC(=NN=C(N)N)C.Cl
• InChI: InChI=1S/C4H10N4.ClH/c1-3(2)7-8-4(5)6;/h1-2H3,(H4,5,6,8);1H
• InChIKey: IXBGPXGMXYVOCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(propan-2-ylidene)amino]guanidine hydrochloride
• IUPAC Traditional name: 2-(propan-2-ylideneamino)guanidine hydrochloride
• Synonyms: N'-(1-methylethylidene)aminomethanehydrazonamide hydrochloride

Database IDs

• MDL Number: MFCD00219467
• PubChem SID: 162069030
• PubChem CID: 2777917

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.0611215
• LogD (pH = 7.4): -2.2707329
• Log P: -1.0744587
• Molar Refractivity: 32.0958 cm^3
• Polarizability: 11.841826 Å^3
• Polar Surface Area: 76.76 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true