Basic information
- CAS
69517-61-9- Standard SMILES
Cc1ccc(NC(=O)CCC(=O)O)cc1C- InChIKey
IOPDCIWZBHGMOA-UHFFFAOYSA-N- Molecular formula
- C12H15NO3
- Average molar mass
- 221.25 g/mol
- Monoisotopic mass
- 221.10519334
Names & identifiers
- Preferred name
- Succinamic acid, N-(3,4-dimethylphenyl)-
- IUPAC
- 4-(3,4-dimethylanilino)-4-oxobutanoic acid
- English name
- AKOS BBS-00007799
- Molecular formula
- C12H15NO3
- Molecular weight
- 221.25
Names & synonyms
69517-61-9Succinamic acid, N-(3,4-dimethylphenyl)-N-(3,4-Xylyl)succinamic acidN-3,4-Dimethylphenylsuccinamic acidDTXSID40219755RefChem:889407DTXCID901422464-[(3,4-dimethylphenyl)amino]-4-oxobutanoic acid4-(3,4-Dimethylanilino)-4-oxobutanoic acidbutanoic acid, 4-[(3,4-dimethylphenyl)amino]-4-oxo-4-((3,4-Dimethylphenyl)amino)-4-oxobutanoic acidMFCD00029836
Show more names
ST5032784AURORA 3047AKOS BBS-000077993',4'-DIMETHYLSUCCINANILIC ACID3',4'-DIMETHYLSUCCINANILIC ACID
3-[(3,4-dimethylphenyl)carbamoyl]propanoic acid3-[N-(3,4-dimethylphenyl)carbamoyl]propanoic acidOprea1_000096Oprea1_474237SCHEMBL7814127CCG-343IOPDCIWZBHGMOA-UHFFFAOYSA-NALBB-017666
Database identifiers
- CAS
69517-61-9- PubChem CID
- 578337
- DTXSID
DTXSID40219755- EC Number
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 265
Physicochemical properties
- Melting point
- 142 · 142-143 °C
- Boiling point
- 456.5 · 456.5±33.0 °C(Predicted)
- Density
- 1.21 · 1.210±0.06 g/cm3(Predicted)
- pka
- 4.72 · 4.72±0.10(Predicted)
- EWG's Food Scores
- 1 · 1
- 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
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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