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Details

Stereochemistry ACHIRAL
Molecular Formula C13H17Cl2NO2
Molecular Weight 290.186
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 3-[bis(2-chloroethyl)amino]-4-methylbenzoate

SMILES

COC(=O)C1=CC(N(CCCl)CCCl)=C(C)C=C1

InChI

InChIKey=RMYQWYZCXZASAT-UHFFFAOYSA-N
InChI=1S/C13H17Cl2NO2/c1-10-3-4-11(13(17)18-2)9-12(10)16(7-5-14)8-6-15/h3-4,9H,5-8H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C13H17Cl2NO2
Molecular Weight 290.186
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 12:38:14 GMT 2023
Edited
by admin
on Sat Dec 16 12:38:14 GMT 2023
Record UNII
59RL5GBF67
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl 3-[bis(2-chloroethyl)amino]-4-methylbenzoate
Systematic Name English
Benzoic acid, 3-[bis(2-chloroethyl)amino]-4-methyl-, methyl ester
Systematic Name English
NSC-356834
Code English
P-TOLUIC ACID, 3-(BIS(2-CHLOROETHYL)AMINO)-, METHYL ESTER
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID90940007
Created by admin on Sat Dec 16 12:38:14 GMT 2023 , Edited by admin on Sat Dec 16 12:38:14 GMT 2023
PRIMARY
PUBCHEM
87706
Created by admin on Sat Dec 16 12:38:14 GMT 2023 , Edited by admin on Sat Dec 16 12:38:14 GMT 2023
PRIMARY
NSC
356834
Created by admin on Sat Dec 16 12:38:14 GMT 2023 , Edited by admin on Sat Dec 16 12:38:14 GMT 2023
PRIMARY
CAS
18583-88-5
Created by admin on Sat Dec 16 12:38:14 GMT 2023 , Edited by admin on Sat Dec 16 12:38:14 GMT 2023
PRIMARY
FDA UNII
59RL5GBF67
Created by admin on Sat Dec 16 12:38:14 GMT 2023 , Edited by admin on Sat Dec 16 12:38:14 GMT 2023
PRIMARY