CAS 43204-63-3 Bis(2-bromoethyl)amine (HCID 415719)

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Basic information

CAS: 43204-63-3
Standard SMILES: BrCCNCCBr
InChIKey: GVLQQPDTOWRBRC-UHFFFAOYSA-N
Molecular formula: C4H9Br2N
Average molar mass: 230.93 g/mol

Overview

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Names & identifiers

Preferred name: Bis(2-bromoethyl)amine
IUPAC: 2-bromo-N-(2-bromoethyl)ethanamine
English name: Bis(2-bromoethyl)amine hydrobromide
Molecular formula: C4H10Br3N
Molecular weight: 311.8409

Names & synonyms

Bis(2-bromoethyl)amine3890-99-12-bromo-N-(2-bromoethyl)ethanamineBis(2-bromoethyl)ammonium bromidebis-(2-bromo-ethyl)-amineEthanamine, 2-bromo-N-(2-bromoethyl)-bis-(2-bromoethyl)aminebis-(beta-bromoethyl)amineNCIOpen2_008807SCHEMBL313530GVLQQPDTOWRBRC-UHFFFAOYSA-NEINECS 256-142-0

Show more names

Trazodone Impurity YBIS(2-BROMOETHYL)AMINE HBRVortioxetine Impurity 36 HBrBis(2-bromoethyl)amine hydrobromide2,2'-Dibromodiethylamine HydrobromideBis(2-bromoethyl)amine·hydrobrominateBis(2-bromoethyl)ammonium hydrobromide2-Bromo-N-(2-bromoethyl)ethanamine HBrBIS(2-BROMOETHYL)AMINEHYDROBROMICACIDSALT

NSC 72394STL191461AKOS02526820643204-63-3 pound HBr pound(c)CS-0266549EN300-203361

Database identifiers

CAS: 43204-63-3

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 7
Formal charge: 0
Complexity: 28.9

Physicochemical properties

Melting point: 203 · 203-205℃
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Applications · 2 items

Uses2,2''-Dibromodiethylamine Hydrobromide is used in the synthesis of quinone phosphorodiamidate drugs that target DT-diaphorase, an enzyme that is overexpressed in solid tumors. Also used in the preparation of anti-depressive drugs, in the treatment of major depressive disorders. Trazadone Impurity.

UsesBis(2-bromoethyl)amine hydrobromide is used in the synthesis of quinone phosphorodiamidate drugs that target DT-diaphorase, an enzyme that is overexpressed in solid tumors. Also used in the preparat ion of anti-depressive drugs, in the treatment of major depressive disorders. Trazadone Impurity.