aminomethanecarbonimidoyl chloride hydrochloride

• ChemBase ID: 53939
• Molecular Formular: CH4Cl2N2
• Molecular Mass: 114.96186
• Monoisotopic Mass: 113.9751535
• SMILES: Cl.ClC(=N)N
• Canonical SMILES: NC(=N)Cl.Cl
• InChI: InChI=1S/CH3ClN2.ClH/c2-1(3)4;/h(H3,3,4);1H
• InChIKey: FUQFHOLPJJETAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: aminomethanecarbonimidoyl chloride hydrochloride
• IUPAC Traditional name: aminomethanecarbonimidoyl chloride hydrochloride
• Synonyms: Chloroformamidine hydrochloride; Carbamimidic chloride hydrochloride

Database IDs

• CAS Number: 29671-92-9
• MDL Number: MFCD00035527
• PubChem SID: 162058702
• PubChem CID: 3084509

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.1811383
• LogD (pH = 7.4): -0.78961414
• Log P: 0.04626658
• Molar Refractivity: 27.773 cm^3
• Polarizability: 6.3920174 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 177°C

Safety Information

• Storage Warning: Corrosive/Hygroscopic/Store under Argon; HYGROSCOPIC, CORROSIVE
• TSCA Listed: false

Product Information

• Purity: 95+%