DIACETONAMINE ACID OXALATE MONOHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H13NO.C2H2O4.H2O
Molecular Weight	223.2237
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DIACETONAMINE ACID OXALATE MONOHYDRATE

Structure Search

SMILES

O.OC(=O)C(O)=O.CC(=O)CC(C)(C)N

InChI

InChIKey=WTWLHIRBZWLOBP-UHFFFAOYSA-N

InChI=1S/C6H13NO.C2H2O4.H2O/c1-5(8)4-6(2,3)7;3-1(4)2(5)6;/h4,7H2,1-3H3;(H,3,4)(H,5,6);1H2

HIDE SMILES / InChI

Molecular Formula	C2H2O4
Molecular Weight	90.0349
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C6H13NO
Molecular Weight	115.1735
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 21:18:03 GMT 2025` Edited by `admin` on `Mon Mar 31 21:18:03 GMT 2025`
Record UNII	EP1MV232F7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-PENTANONE, 4-AMINO-4-METHYL-, ETHANEDIOATE (1:1), MONOHYDRATE

Preferred Name

English

DIACETONAMINE ACID OXALATE MONOHYDRATE

Common Name

English

2-PENTANONE, 4-AMINO-4-METHYL-, ETHANEDIOATE, HYDRATE (1:1:1)

Systematic Name

English

2-PENTANONE, 4-AMINO-4-METHYL-, OXALATE (1:1), MONOHYDRATE

Common Name

English

DIACETONAMINE ACID OXALATE MONOHYDRATE [MI]

Common Name

English

Code System Code Type Description

PUBCHEM

6452394

Created by admin on Mon Mar 31 21:18:03 GMT 2025 , Edited by admin on Mon Mar 31 21:18:03 GMT 2025

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MERCK INDEX

m4235

Created by admin on Mon Mar 31 21:18:03 GMT 2025 , Edited by admin on Mon Mar 31 21:18:03 GMT 2025

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Merck Index

FDA UNII

EP1MV232F7

Created by admin on Mon Mar 31 21:18:03 GMT 2025 , Edited by admin on Mon Mar 31 21:18:03 GMT 2025

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CAS

5895-86-3

Created by admin on Mon Mar 31 21:18:03 GMT 2025 , Edited by admin on Mon Mar 31 21:18:03 GMT 2025

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