Methyl 2-carbamoylacetate
Basic information
- CAS
51513-29-2- Standard SMILES
COC(=O)CC(N)=O- InChIKey
LSNSJCKGQREPDW-UHFFFAOYSA-N- Molecular formula
- C4H7NO3
- Average molar mass
- 117.1 g/mol
- Monoisotopic mass
- 117.04259309
Names & identifiers
- Preferred name
- Methyl 2-carbamoylacetate
- IUPAC
- methyl 3-amino-3-oxopropanoate
- English name
- Methyl carbamoylacetate
- Molecular formula
- C4H7NO3
- Molecular weight
- 117.1
Names & synonyms
Methyl 2-carbamoylacetateRefChem:814240962-521-8methyl 3-amino-3-oxopropanoate51513-29-2Methyl MalonamateMethyl malonate monoamideMethyl carbamoylacetateMFCD00674533methyl 3-amino-3-oxo-propanoatePropanoic acid, 3-amino-3-oxo-, methyl esterMalonic acid monomethyl ester monoamide
Show more names
SKL247Methylmalonamate,98%Pramexol Impurity 683-Amino-3-oxo-propanoic acid methyl ester
methyl-malonate monoamideMalonamic acid methyl estermethyl3-amino-3-oxopropanoateSCHEMBL751896SCHEMBL751897SCHEMBL5442873Methyl 3-Amino-3-oxopropionateDTXSID20393986
Database identifiers
- CAS
51513-29-2- PubChem CID
- 3595299
- DTXSID
DTXSID20393986- EC Number
- 962-521-8
- Nikkaji
- J1.833.359G
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 110
Physicochemical properties
- Melting point
- 39 · 39-44 °C
- Boiling point
- 263.7 · 263.7±23.0 °C(Predicted)
- Density
- 1.184 · 1.184±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 13.51 · 13.51±0.46(Predicted)
- form
- solid
- Appearance
- White to off-white Solid
- BRN
- 2237801 · 2237801
- InChI
- InChI=1S/C4H7NO3/c1-8-4(7)2-3(5)6/h2H2,1H3,(H2,5,6)
- InChIKey
- LSNSJCKGQREPDW-UHFFFAOYSA-N
- SMILES
- C(OC)(=O)CC(N)=O
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
1 records
Compound notes
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