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Details

Stereochemistry ACHIRAL
Molecular Formula C12H17ClN2O
Molecular Weight 240.729
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(2-Chloroethyl)-3-mesitylurea

SMILES

CC1=CC(C)=C(NC(=O)NCCCl)C(C)=C1

InChI

InChIKey=HEVQKTSFRAXZIU-UHFFFAOYSA-N
InChI=1S/C12H17ClN2O/c1-8-6-9(2)11(10(3)7-8)15-12(16)14-5-4-13/h6-7H,4-5H2,1-3H3,(H2,14,15,16)

HIDE SMILES / InChI

Molecular Formula C12H17ClN2O
Molecular Weight 240.729
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 Tue Apr 01 19:58:56 GMT 2025
Edited
by admin
on Tue Apr 01 19:58:56 GMT 2025
Record UNII
XP3KS2SBW2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-102251
Preferred Name English
1-(2-Chloroethyl)-3-mesitylurea
Systematic Name English
Urea, N-(2-chloroethyl)-N?-(2,4,6-trimethylphenyl)-
Systematic Name English
N-(2-Chloroethyl)-N?-(2,4,6-trimethylphenyl)urea
Systematic Name English
1-(2-Chloroethyl)-3-(2,4,6-trimethylphenyl)urea
Systematic Name English
Urea, 1-(2-chloroethyl)-3-mesityl-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID30186669
Created by admin on Tue Apr 01 19:58:56 GMT 2025 , Edited by admin on Tue Apr 01 19:58:56 GMT 2025
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PUBCHEM
97149
Created by admin on Tue Apr 01 19:58:56 GMT 2025 , Edited by admin on Tue Apr 01 19:58:56 GMT 2025
PRIMARY
NSC
102251
Created by admin on Tue Apr 01 19:58:56 GMT 2025 , Edited by admin on Tue Apr 01 19:58:56 GMT 2025
PRIMARY
CAS
33021-67-9
Created by admin on Tue Apr 01 19:58:56 GMT 2025 , Edited by admin on Tue Apr 01 19:58:56 GMT 2025
PRIMARY
FDA UNII
XP3KS2SBW2
Created by admin on Tue Apr 01 19:58:56 GMT 2025 , Edited by admin on Tue Apr 01 19:58:56 GMT 2025
PRIMARY