bis(chloromethoxy)amine hydrochloride

• ChemBase ID: 180120
• Molecular Formular: C2H6Cl3NO2
• Molecular Mass: 182.43354
• Monoisotopic Mass: 180.94641148
• SMILES: N(OCCl)OCCl.Cl
• Canonical SMILES: ClCONOCCl.Cl
• InChI: InChI=1S/C2H5Cl2NO2.ClH/c3-1-6-5-7-2-4;/h5H,1-2H2;1H
• InChIKey: MJWZDAGANUNRAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(chloromethoxy)amine hydrochloride
• IUPAC Traditional name: bis(chloromethoxy)amine hydrochloride
• Synonyms: Bis(2-chlorolethyl)amine hydro-chloride

Database IDs

• CAS Number: 821-48-7
• PubChem SID: 164236030
• PubChem CID: 53484260

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3363682
• LogD (pH = 7.4): 1.3368354
• Log P: 1.3368413
• Molar Refractivity: 37.2875 cm^3
• Polarizability: 11.278263 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true