Basic information
- CAS
60034-93-7- Standard SMILES
CNC(=O)c1cc(C)ccc1C- InChIKey
XAQOUUIPHMXXOB-UHFFFAOYSA-N- Molecular formula
- C10H13NO
- Average molar mass
- 163.22 g/mol
- Monoisotopic mass
- 163.09971404
Names & identifiers
- Preferred name
- N,2,5-trimethylbenzamide
- IUPAC
- N,2,5-trimethylbenzamide
- English name
- Benzamide, N,2,5-trimethyl- (9CI)
- Molecular formula
- C10H13NO
- Molecular weight
- 163.21632
Names & synonyms
N,2,5-trimethylbenzamide60034-93-7BENZAMIDE, N,2,5-TRIMETHYL-SCHEMBL3421898SCHEMBL4766299SCHEMBL5885098DTXSID20358939AKOS008933411Z32016577Benzamide, N,2,5-trimethyl- (9CI)
Database identifiers
- CAS
60034-93-7- PubChem CID
- 925458
- DTXSID
DTXSID20358939
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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