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Details

Stereochemistry ACHIRAL
Molecular Formula C4H7O2.H4N
Molecular Weight 105.1356
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AMMONIUM ISOBUTYRATE

SMILES

[NH4+].CC(C)C([O-])=O

InChI

InChIKey=MDUBPQGQPBQGGN-UHFFFAOYSA-N
InChI=1S/C4H8O2.H3N/c1-3(2)4(5)6;/h3H,1-2H3,(H,5,6);1H3

HIDE SMILES / InChI

Molecular Formula C4H8O2
Molecular Weight 88.1051
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula H3N
Molecular Weight 17.0305
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 Fri Dec 15 18:50:51 UTC 2023
Edited
by admin
on Fri Dec 15 18:50:51 UTC 2023
Record UNII
3F03259M1O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AMMONIUM ISOBUTYRATE
Systematic Name English
ISOBUTYRIC ACID, AMMONIUM SALT
Common Name English
PROPANOIC ACID, 2-METHYL-, AMMONIUM SALT
Common Name English
PROPANOIC ACID, 2-METHYL-, AMMONIUM SALT (1:1)
Systematic Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 101501
Created by admin on Fri Dec 15 18:50:51 UTC 2023 , Edited by admin on Fri Dec 15 18:50:51 UTC 2023
Code System Code Type Description
ECHA (EC/EINECS)
244-850-2
Created by admin on Fri Dec 15 18:50:51 UTC 2023 , Edited by admin on Fri Dec 15 18:50:51 UTC 2023
PRIMARY
CAS
22228-82-6
Created by admin on Fri Dec 15 18:50:51 UTC 2023 , Edited by admin on Fri Dec 15 18:50:51 UTC 2023
PRIMARY
EPA CompTox
DTXSID2066771
Created by admin on Fri Dec 15 18:50:51 UTC 2023 , Edited by admin on Fri Dec 15 18:50:51 UTC 2023
PRIMARY
FDA UNII
3F03259M1O
Created by admin on Fri Dec 15 18:50:51 UTC 2023 , Edited by admin on Fri Dec 15 18:50:51 UTC 2023
PRIMARY
PUBCHEM
168034
Created by admin on Fri Dec 15 18:50:52 UTC 2023 , Edited by admin on Fri Dec 15 18:50:52 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE