bis(2-bromoethyl)amine hydrobromide

• ChemBase ID: 70486
• Molecular Formular: C4H10Br3N
• Molecular Mass: 311.8409
• Monoisotopic Mass: 308.83633533
• SMILES: N(CCBr)CCBr.Br
• Canonical SMILES: BrCCNCCBr.Br
• InChI: InChI=1S/C4H9Br2N.BrH/c5-1-3-7-4-2-6;/h7H,1-4H2;1H
• InChIKey: YHHKEXPNBPDPOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(2-bromoethyl)amine hydrobromide
• IUPAC Traditional name: bis(2-bromoethyl)amine hydrobromide
• Synonyms: Bis(2-Bromoethyl)amine hydrobromide

Database IDs

• CAS Number: 43204-63-3
• MDL Number: MFCD11044002
• PubChem SID: 162036202
• PubChem CID: 12692731

CALCULATED PROPERTIES

• LogD (pH = 7.4): 0.37689367
• Log P: 1.5070918
• Molar Refractivity: 39.347 cm^3
• Polarizability: 15.422036 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2967626

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%