Basic information
- CAS
51283-38-6- Standard SMILES
CC(=O)CC(C)(C)N.O=C(O)C(=O)O- InChIKey
PABISXFQAHDPMS-UHFFFAOYSA-N- Molecular formula
- C8H15NO5
- Average molar mass
- 205.21 g/mol
- Monoisotopic mass
- 205.09502258
Names & identifiers
- Preferred name
- 1,1-Dimethyl-3-oxobutylammonium hydrogen oxalate
- IUPAC
- 4-amino-4-methylpentan-2-one;oxalic acid
- English name
- 1,1-dimethyl-3-oxobutylammonium hydrogen oxalate
- Molecular formula
- C8H15NO5
- Molecular weight
- 205.2084
Names & synonyms
625-03-61,1-Dimethyl-3-oxobutylammonium hydrogen oxalateEINECS 210-875-2DTXSID00211533NSC 17567RefChem:71102DTXCID30134024210-875-24-Amino-4-methyl-2-pentanone OxalateMFCD000130134-amino-4-methylpentan-2-one;oxalic acidDiacetonamine hydrogen oxalate
Show more names
4-azanyl-4-methyl-pentan-2-one(2-methyl-4-oxopentan-2-yl)azanium4-Amino-4-methyl-2-pentanone ethanedioate
4-amino-4-methyl-pentan-2-one; oxalic acid4-Amino-4-methylpentan-2-one oxalate(1:x)Diacetonamine, hemioxalate4-Amino-4-methyl-2-pentanoneOxalateDIACETONEAMINE HYDROGEN OXALATEDiacetonamine, monooxalateSCHEMBL1401227Diacetonamine hydrogenoxalate, 90%
Database identifiers
- CAS
51283-38-6、53608-87-0、625-03-6- PubChem CID
- 69360
- DTXSID
DTXSID00211533- EC Number
- 210-875-2
Properties
Computed structural properties
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 168
Physicochemical properties
- Melting point
- 126 · 126-127℃
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers16 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
Wuhan Konberd Biotech Co., Ltd+undefined-18986093962 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海辅欣医药科技有限公司021-50872116 13391048226 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
Related reactions
2 records
Compound notes
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