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Details

Stereochemistry ACHIRAL
Molecular Formula C7H13ClN2O3
Molecular Weight 208.643
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (4-CHLOROBUTYL(NITROSO)AMINO)METHYL ACETATE

SMILES

CC(=O)OCN(CCCCCl)N=O

InChI

InChIKey=UWZYBQXLLFWIQG-UHFFFAOYSA-N
InChI=1S/C7H13ClN2O3/c1-7(11)13-6-10(9-12)5-3-2-4-8/h2-6H2,1H3

HIDE SMILES / InChI

Molecular Formula C7H13ClN2O3
Molecular Weight 208.643
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 Mon Mar 31 22:44:16 GMT 2025
Edited
by admin
on Mon Mar 31 22:44:16 GMT 2025
Record UNII
NX39EB3UCU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(4-CHLOROBUTYL(NITROSO)AMINO)METHYL ACETATE
Systematic Name English
METHANOL, ((4-CHLOROBUTYL)NITROSOAMINO)-, ACETATE (ESTER)
Preferred Name English
METHANOL, 1-((4-CHLOROBUTYL)NITROSOAMINO)-, 1-ACETATE
Systematic Name English
Code System Code Type Description
FDA UNII
NX39EB3UCU
Created by admin on Mon Mar 31 22:44:16 GMT 2025 , Edited by admin on Mon Mar 31 22:44:16 GMT 2025
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EPA CompTox
DTXSID90185153
Created by admin on Mon Mar 31 22:44:16 GMT 2025 , Edited by admin on Mon Mar 31 22:44:16 GMT 2025
PRIMARY
CAS
312304-89-5
Created by admin on Mon Mar 31 22:44:16 GMT 2025 , Edited by admin on Mon Mar 31 22:44:16 GMT 2025
PRIMARY
PUBCHEM
3025981
Created by admin on Mon Mar 31 22:44:16 GMT 2025 , Edited by admin on Mon Mar 31 22:44:16 GMT 2025
PRIMARY