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Details

Stereochemistry ACHIRAL
Molecular Formula C5H11NO2
Molecular Weight 117.1463
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-NITROPENTANE

SMILES

CCC(CC)[N+]([O-])=O

InChI

InChIKey=RXPKOTQRDGEKFY-UHFFFAOYSA-N
InChI=1S/C5H11NO2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C5H11NO2
Molecular Weight 117.1463
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 02:09:33 GMT 2023
Edited
by admin
on Sat Dec 16 02:09:33 GMT 2023
Record UNII
3DB5UCN3UM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-NITROPENTANE
MI  
Systematic Name English
3-NITROPENTANE [MI]
Common Name English
PENTANE, 3-NITRO-
Systematic Name English
Code System Code Type Description
FDA UNII
3DB5UCN3UM
Created by admin on Sat Dec 16 02:09:33 GMT 2023 , Edited by admin on Sat Dec 16 02:09:33 GMT 2023
PRIMARY
CAS
551-88-2
Created by admin on Sat Dec 16 02:09:33 GMT 2023 , Edited by admin on Sat Dec 16 02:09:33 GMT 2023
PRIMARY
MERCK INDEX
m7973
Created by admin on Sat Dec 16 02:09:33 GMT 2023 , Edited by admin on Sat Dec 16 02:09:33 GMT 2023
PRIMARY Merck Index
PUBCHEM
12333
Created by admin on Sat Dec 16 02:09:33 GMT 2023 , Edited by admin on Sat Dec 16 02:09:33 GMT 2023
PRIMARY
EPA CompTox
DTXSID2020979
Created by admin on Sat Dec 16 02:09:33 GMT 2023 , Edited by admin on Sat Dec 16 02:09:33 GMT 2023
PRIMARY