Basic information
- CAS
3103-38-6- Standard SMILES
CC(=O)CC(=O)NCC(=O)O- InChIKey
YFMZKFTUZNTQHV-UHFFFAOYSA-N- Molecular formula
- C6H9NO4
- Average molar mass
- 159.14 g/mol
- Monoisotopic mass
- 159.05315777
Names & identifiers
- Preferred name
- Glycine, N-(1,3-dioxobutyl)-
- IUPAC
- 2-(3-oxobutanoylamino)acetic acid
- English name
- N-(Acetoacetyl)glycine,
- Molecular formula
- C6H9NO4
- Molecular weight
- 159.14
Names & synonyms
3103-38-6Glycine, N-(1,3-dioxobutyl)-Acetoacetamide, N-carboxymethyl-EINECS 221-459-5DTXSID0062846RefChem:663751DTXCID60382912-(3-Oxobutanamido)acetic acidN-(Acetoacetyl)glycine2-(3-oxobutanoylamino)acetic acidN-(ACETOACETYL)GLYCINE,CHEMBL573193
Show more names
N-(1,3-Dioxobutyl)glycine(Acetoacetylamino)acetic acid1,3-Dioxobutylaminoacetic acid2-(acetoacetylamino)acetic acid2-(3-oxobutanoylamino)ethanoic acid
(3-Oxobutanoyl)glycineN-(3-Oxobutanoyl)glycineSCHEMBL1055886(Acetoacetylamino)acetic acid #STR00569BDBM50299132MFCD00009720AKOS010501571
Database identifiers
- CAS
3103-38-6- PubChem CID
- 76549
- DTXSID
DTXSID0062846- ChEMBL
CHEMBL573193- EC Number
- 221-459-5
- Nikkaji
- J217.272K
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Melting point
- 93 · 93-96 °C
- Boiling point
- 443.7 · 443.7±30.0 °C(Predicted)
- Density
- 1.27 · 1.270±0.06 g/cm3(Predicted)
- pka
- 3.32 · 3.32±0.10(Predicted)
- EPA Substance Registry System
- Glycine, N-(1,3-dioxobutyl)- (3103-38-6)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationGlycine, N-(1,3-dioxobutyl)-: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers2 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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