N-Methylmalonamic acid
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Basic information
- CAS
42105-98-6- Standard SMILES
CNC(=O)CC(=O)O- InChIKey
ANSCABGFLRQFHU-UHFFFAOYSA-N- Molecular formula
- C4H7NO3
- Average molar mass
- 117.1 g/mol
- Monoisotopic mass
- 117.04259309
Overview
structure given in first source
Names & identifiers
- Preferred name
- N-Methylmalonamic acid
- IUPAC
- 3-(methylamino)-3-oxopropanoic acid
- English name
- N-methylmalonamic acid
- Molecular formula
- C4H7NO3
- Molecular weight
- 117.1
Names & synonyms
42105-98-6N-Methylmalonamic acidPropanoic acid, 3-(methylamino)-3-oxo-N-MMAP1GQ250D2IDTXSID10194949RefChem:163852DTXCID001174403-(methylamino)-3-oxopropanoic acid2-(methylcarbamoyl)acetic acidMFCD062084883-(Methylamino)-3-oxo-propanoic acid
Show more names
3-(methylamino)-3-oxopropanoic acid(SALTDATA: FREE)
N-methyl malonamic acidUNII-P1GQ250D2ISCHEMBL2704898SCHEMBL17966748SCHEMBL27480174ANSCABGFLRQFHU-UHFFFAOYSA-NALBB-0095343-keto-3-methylamino-propionic acid
Database identifiers
- CAS
42105-98-6- PubChem CID
- 170607
- DTXSID
DTXSID10194949- UNII
- P1GQ250D2I
- EC Number
- 831-314-3
- Nikkaji
- J1.187.740K
Properties
Computed structural propertiesFilling in
- XLogP
- -0.8
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 110
Physicochemical properties
- storage temp.
- Store at room temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- FDA UNII
- 1 GQ250D2I · P1GQ250D2I
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H303-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P312-P264-P280-P305+P351+P338-P337+P313P
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
H303 (50%): May be harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P271, P280, P301+P317, 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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 5 (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H303-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P312-P264-P280-P305+P351+P338-P337+P313P
Related reactions
1 records
Compound notes
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