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Details

Stereochemistry ACHIRAL
Molecular Formula C5H11NO3
Molecular Weight 133.1457
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOAMYL NITRATE

SMILES

CC(C)CCO[N+]([O-])=O

InChI

InChIKey=NTHGIYFSMNNHSC-UHFFFAOYSA-N
InChI=1S/C5H11NO3/c1-5(2)3-4-9-6(7)8/h5H,3-4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C5H11NO3
Molecular Weight 133.1457
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 21:19:22 GMT 2025
Edited
by admin
on Mon Mar 31 21:19:22 GMT 2025
Record UNII
7ARR7RA61E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHYL-1-BUTANOL 1-NITRATE
Preferred Name English
ISOAMYL NITRATE
MI  
Systematic Name English
ISO-AMYLNITRATE
Common Name English
ISOAMYL NITRATE [MI]
Common Name English
ISOPENTYL NITRATE
Systematic Name English
3-METHYLBUTYL NITRATE
Systematic Name English
Code System Code Type Description
FDA UNII
7ARR7RA61E
Created by admin on Mon Mar 31 21:19:22 GMT 2025 , Edited by admin on Mon Mar 31 21:19:22 GMT 2025
PRIMARY
PUBCHEM
10985
Created by admin on Mon Mar 31 21:19:22 GMT 2025 , Edited by admin on Mon Mar 31 21:19:22 GMT 2025
PRIMARY
ECHA (EC/EINECS)
208-852-7
Created by admin on Mon Mar 31 21:19:22 GMT 2025 , Edited by admin on Mon Mar 31 21:19:22 GMT 2025
PRIMARY
MERCK INDEX
m6437
Created by admin on Mon Mar 31 21:19:22 GMT 2025 , Edited by admin on Mon Mar 31 21:19:22 GMT 2025
PRIMARY Merck Index
CAS
543-87-3
Created by admin on Mon Mar 31 21:19:22 GMT 2025 , Edited by admin on Mon Mar 31 21:19:22 GMT 2025
PRIMARY
EPA CompTox
DTXSID70110029
Created by admin on Mon Mar 31 21:19:22 GMT 2025 , Edited by admin on Mon Mar 31 21:19:22 GMT 2025
PRIMARY