2-Methylmalonamide
Basic information
- CAS
1113-63-9- Standard SMILES
CC(C(N)=O)C(N)=O- InChIKey
CGRKYGKHZOCPSZ-UHFFFAOYSA-N- Molecular formula
- C4H8N2O2
- Average molar mass
- 116.12 g/mol
- Monoisotopic mass
- 116.0585775
Names & identifiers
- Preferred name
- 2-Methylmalonamide
- IUPAC
- 2-methylpropanediamide
- English name
- 2-Methylmalonamide
- Molecular formula
- C4H8N2O2
- Molecular weight
- 116.12
Names & synonyms
2-Methylmalonamide1113-63-92-methylpropanediamide2-MethylmalonodiamideMFCD00043625methylmalonamidemethyl malonamideNSC198782-Methylpropanediimidic acidSCHEMBL177800SCHEMBL295699SCHEMBL2746471
Show more names
N-METHYL MALONAMIDEEthane-1,1-dicarboxamidePropanediamide,2-methyl-(2R)-2-methylbutanediamide
SCHEMBL6943656SCHEMBL6944951DTXSID00912098NSC-19878STL135321AKOS004907160BS-9818CS-0235187
Database identifiers
- CAS
1113-63-9- PubChem CID
- 227804
- DTXSID
DTXSID00912098- EC Number
- 654-172-2
- Nikkaji
- J127.777D
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 107
Physicochemical properties
- Melting point
- 208 · 208-210°C
- Boiling point
- 400.3 · 400.3±28.0 °C(Predicted)
- Density
- 1.202 · 1.202±0.06 g/cm3(Predicted)
- pka
- 7 · 7.00±0.70(Predicted)
- BRN
- 1756100 · 1756100
- CAS DataBase Reference
- 1113 · 1113-63-9(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- Safety Statements
- 22 · 22-24/25
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Suppliers
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Related reactions
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Compound notes
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