Basic information
- CAS
78648-34-7- Standard SMILES
Cc1ccccc1NC(=O)CCCC(=O)O- InChIKey
FDGLRKQOJAIJCL-UHFFFAOYSA-N- Molecular formula
- C12H15NO3
- Average molar mass
- 221.25 g/mol
- Monoisotopic mass
- 221.10519334
Names & identifiers
- Preferred name
- 2'-Methylglutaranilic acid
- IUPAC
- 5-(2-methylanilino)-5-oxopentanoic acid
Names & synonyms
78648-34-72'-methylglutaranilic acidRefChem:439714666-050-65-[(2-methylphenyl)amino]-5-oxopentanoic acid4-[(2-methylphenyl)carbamoyl]butanoic Acid5-(2-methylanilino)-5-oxopentanoic acid5-Oxo-5-(o-tolylamino)pentanoic acidCBKinase1_002385CBKinase1_014785Cambridge id 7136882Oprea1_169590
Show more names
5- [(2- methylphenyl)amino]- 5- oxopentanoicacidSCHEMBL7822083MFCD00029861STK267886AKOS000987320CCG-294450ST504453794-[N-(2-methylphenyl)carbamoyl]butanoic acid
Database identifiers
- CAS
78648-34-7- PubChem CID
- 768877
- EC Number
- 666-050-6
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 253
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…