Basic information
- CAS
5692-34-2- Standard SMILES
Cc1ccc(C)c(C(N)=O)c1- InChIKey
GOEASVSGVVOTLQ-UHFFFAOYSA-N- Molecular formula
- C9H11NO
- Average molar mass
- 149.19 g/mol
- Monoisotopic mass
- 149.08406397
Names & identifiers
- Preferred name
- 2,5-Dimethylbenzamide
- IUPAC
- 2,5-dimethylbenzamide
- English name
- Benzamide, 2,5-dimethyl- (8CI,9CI)
- Molecular formula
- C9H11NO
- Molecular weight
- 149.19
Names & synonyms
2,5-dimethylbenzamide5692-34-2DTXSID30358940RefChem:247610DTXCID10309995Benzamide, 2,5-dimethyl- (8CI,9CI)BENZAMIDE, 2,5-DIMETHYL-MFCD060935422,5-dimethyl-benzamideSCHEMBL1003845SCHEMBL1503261SCHEMBL5943835
Show more names
AKOS008937487DB-284900F091229
Database identifiers
- CAS
5692-34-2- PubChem CID
- 925459
- DTXSID
DTXSID30358940- Nikkaji
- J3.074.798D
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Melting point
- 182.2 · 182.2-183.0 °C
- Boiling point
- 231.4 · 231.4±29.0 °C(Predicted)
- Density
- 1.06 · 1.060±0.06 g/cm3(Predicted)
- pka
- 16.13 · 16.13±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P302+P352-P304+P340-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
- P261-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Suppliers7 total
安徽合诺生物科技有限公司0555-2761852
安徽合诺生物科技有限公司18455579438
阳谷荣科商贸有限公司15863541132 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
济南荣科药业有限公司18615606162 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
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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