EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:79813 - N,N-Bis(2-chloroethyl)-DL-alanine hydrochloride

Default Structure
ChEBI IDCHEBI:79813
ChEBI NameN,N-Bis(2-chloroethyl)-DL-alanine hydrochloride
Stars
DownloadsMolfile
FormulaC7H13Cl2NO2.HCl
Net Charge0
Average Mass250.553
Monoisotopic Mass249.00901
SMILESCC(C(=O)O)N(CCCl)CCCl.Cl
InChIInChI=1S/C7H13Cl2NO2.ClH/c1-6(7(11)12)10(4-2-8)5-3-9;/h6H,2-5H2,1H3,(H,11,12);1H
InChIKeyOSFZRZNDOBDGPU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
N,N-Bis(2-chloroethyl)-DL-alanine hydrochloride (CHEBI:79813) is a organic molecular entity (CHEBI:50860)
Manual XrefsDatabases
C15311KEGG COMPOUND
Registry NumbersSources
CAS:3374-04-7KEGG COMPOUND