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Details

Stereochemistry RACEMIC
Molecular Formula C8H18N2O2
Molecular Weight 174.2407
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-BUTYL-N-(2-HYDROXYBUTYL)NITROSAMINE

SMILES

CCCCN(CC(O)CC)N=O

InChI

InChIKey=BWHWPDPMUUTEAZ-UHFFFAOYSA-N
InChI=1S/C8H18N2O2/c1-3-5-6-10(9-12)7-8(11)4-2/h8,11H,3-7H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C8H18N2O2
Molecular Weight 174.2407
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:01:13 GMT 2023
Edited
by admin
on Sat Dec 16 08:01:13 GMT 2023
Record UNII
S108M5D91F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-BUTYL-N-(2-HYDROXYBUTYL)NITROSAMINE
Common Name English
N-NITROSO-N-(2-HYDROXYBUTYL)BUTYLAMINE
Systematic Name English
(2-HYDROXYBUTYL)-N-BUTYLNITROSAMINE
Systematic Name English
2-BUTANOL, 1-(BUTYLNITROSOAMINO)-
Systematic Name English
Code System Code Type Description
CAS
55621-29-9
Created by admin on Sat Dec 16 08:01:13 GMT 2023 , Edited by admin on Sat Dec 16 08:01:13 GMT 2023
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PUBCHEM
41490
Created by admin on Sat Dec 16 08:01:13 GMT 2023 , Edited by admin on Sat Dec 16 08:01:13 GMT 2023
PRIMARY
FDA UNII
S108M5D91F
Created by admin on Sat Dec 16 08:01:13 GMT 2023 , Edited by admin on Sat Dec 16 08:01:13 GMT 2023
PRIMARY
EPA CompTox
DTXSID70970963
Created by admin on Sat Dec 16 08:01:13 GMT 2023 , Edited by admin on Sat Dec 16 08:01:13 GMT 2023
PRIMARY