N-(O-Tolyl)succinamic acid
Basic information
- CAS
37600-45-6- Standard SMILES
Cc1ccccc1NC(=O)CCC(=O)O- InChIKey
JGLMJUORSRRINV-UHFFFAOYSA-N- Molecular formula
- C11H13NO3
- Average molar mass
- 207.23 g/mol
- Monoisotopic mass
- 207.08954328
Names & identifiers
- Preferred name
- N-(O-Tolyl)succinamic acid
- IUPAC
- 4-(2-methylanilino)-4-oxobutanoic acid
- English name
- AKOS BBS-00007769
- Molecular formula
- C11H13NO3
- Molecular weight
- 207.23
Names & synonyms
4-[(2-methylphenyl)amino]-4-oxobutanoic acidN-(O-TOLYL)SUCCINAMIC ACID4-((2-Methylphenyl)amino)-4-oxobutanoic acidRefChem:828521665-720-537600-45-64-oxo-4-(o-Tolylamino)butanoic acid4-(2-methylanilino)-4-oxobutanoic acid3-[(2-methylphenyl)carbamoyl]propanoic acidButanoic acid, 4-[(2-methylphenyl)amino]-4-oxo-MFCD000895873-[N-(2-methylphenyl)carbamoyl]propanoic acid
Show more names
ST5036343EU-0036434IDI1_020027AURORA 2239ASISCHEM W87711AKOS BBS-00007769
ChemDiv3_001061Oprea1_329493Oprea1_648298SCHEMBL14292047SCHEMBL28745628DTXSID20351223HMS1476A05N-(2-Methylphenyl)succinamic acid
Database identifiers
- CAS
37600-45-6- PubChem CID
- 693363
- DTXSID
DTXSID20351223- EC Number
- 665-720-5
- Nikkaji
- J1.034.829C
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Melting point
- 152 · 152-153 °C(Solv: ethanol (64-17-5))
- Boiling point
- 440.2 · 440.2±28.0 °C(Predicted)
- Density
- 1.245 · 1.245±0.06 g/cm3(Predicted)
- pka
- 4.7 · 4.70±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
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Related reactions
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Compound notes
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