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Details

Stereochemistry ACHIRAL
Molecular Formula C9H11ClN4O2.ClH
Molecular Weight 279.123
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(2-Chloroethyl)-N-nitroso-N′-(2-pyridinylmethyl)urea hydrochloride

SMILES

Cl.ClCCN(N=O)C(=O)NCC1=CC=CC=N1

InChI

InChIKey=BPEQDSCGHPFMBH-UHFFFAOYSA-N
InChI=1S/C9H11ClN4O2.ClH/c10-4-6-14(13-16)9(15)12-7-8-3-1-2-5-11-8;/h1-3,5H,4,6-7H2,(H,12,15);1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C9H11ClN4O2
Molecular Weight 242.662
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:23:31 GMT 2023
Edited
by admin
on Sat Dec 16 19:23:31 GMT 2023
Record UNII
P352XM3CGD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(2-Chloroethyl)-N-nitroso-N′-(2-pyridinylmethyl)urea hydrochloride
Systematic Name English
1-(2-chloroethyl)-1-nitroso-3-(pyridin-2-ylmethyl)urea hydrochloride
Systematic Name English
Urea, N-(2-chloroethyl)-N-nitroso-N′-(2-pyridinylmethyl)-, monohydrochloride
Systematic Name English
Urea, N-(2-chloroethyl)-N-nitroso-N′-(2-pyridinylmethyl)-, hydrochloride (1:1)
Systematic Name English
Code System Code Type Description
CAS
79955-40-1
Created by admin on Sat Dec 16 19:23:31 GMT 2023 , Edited by admin on Sat Dec 16 19:23:31 GMT 2023
PRIMARY
EPA CompTox
DTXSID60639350
Created by admin on Sat Dec 16 19:23:31 GMT 2023 , Edited by admin on Sat Dec 16 19:23:31 GMT 2023
PRIMARY
FDA UNII
P352XM3CGD
Created by admin on Sat Dec 16 19:23:31 GMT 2023 , Edited by admin on Sat Dec 16 19:23:31 GMT 2023
PRIMARY
PUBCHEM
24200084
Created by admin on Sat Dec 16 19:23:31 GMT 2023 , Edited by admin on Sat Dec 16 19:23:31 GMT 2023
PRIMARY
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