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Details

Stereochemistry ACHIRAL
Molecular Formula C5H12N2O3
Molecular Weight 148.1604
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(HYDROPEROXYMETHYL)-N-NITROSOBUTYLAMINE

SMILES

CCCCN(COO)N=O

InChI

InChIKey=BHWLDZINDUWAPE-UHFFFAOYSA-N
InChI=1S/C5H12N2O3/c1-2-3-4-7(6-8)5-10-9/h9H,2-5H2,1H3

HIDE SMILES / InChI

Molecular Formula C5H12N2O3
Molecular Weight 148.1604
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 18:49:59 GMT 2025
Edited
by admin
on Mon Mar 31 18:49:59 GMT 2025
Record UNII
9W7X528V9S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUTYL-N-(HYDROPEROXYMETHYL)NITROSAMINE, N-
Preferred Name English
N-(HYDROPEROXYMETHYL)-N-NITROSOBUTYLAMINE
Systematic Name English
1-BUTANAMINE, N-(HYDROPEROXYMETHYL)-N-NITROSO-
Systematic Name English
N-BUTYL-N-(HYDROPEROXYMETHYL)NITROSAMINE
Common Name English
BUTYLAMINE, N-(HYDROPEROXYMETHYL)-N-NITROSO-
Systematic Name English
Code System Code Type Description
CAS
74940-27-5
Created by admin on Mon Mar 31 18:49:59 GMT 2025 , Edited by admin on Mon Mar 31 18:49:59 GMT 2025
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FDA UNII
9W7X528V9S
Created by admin on Mon Mar 31 18:49:59 GMT 2025 , Edited by admin on Mon Mar 31 18:49:59 GMT 2025
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PUBCHEM
135601
Created by admin on Mon Mar 31 18:49:59 GMT 2025 , Edited by admin on Mon Mar 31 18:49:59 GMT 2025
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EPA CompTox
DTXSID00225913
Created by admin on Mon Mar 31 18:49:59 GMT 2025 , Edited by admin on Mon Mar 31 18:49:59 GMT 2025
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