hydrogen 2-(methylamino)acetonitrile chloride

• ChemBase ID: 293780
• Molecular Formular: C3H6ClN2-
• Molecular Mass: 105.54614
• Monoisotopic Mass: 105.02195088
• SMILES: C(C#N)NC.[Cl-]
• Canonical SMILES: CNCC#N.[Cl-]
• InChI: InChI=1S/C3H6N2.ClH/c1-5-3-2-4;/h5H,3H2,1H3;1H/p-1
• InChIKey: DFKBQHBEROHUNF-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: hydrogen 2-(methylamino)acetonitrile chloride
• IUPAC Traditional name: hydrogen 2-(methylamino)acetonitrile chloride
• Synonyms: Methylaminoacetonitrile hydrochloride

Database IDs

• CAS Number: 25808-30-4
• MDL Number: MFCD00012587
• PubChem SID: 180679311
• PubChem CID: 73994949

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.106923
• LogD (pH = 7.4): -0.6667853
• Log P: -0.6569463
• Molar Refractivity: 19.7573 cm^3
• Polarizability: 7.62496 Å^3
• Polar Surface Area: 35.82 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%