Basic information
- CAS
329937-59-9- Standard SMILES
COc1ccc(CNC(=O)c2cccc(C)c2)cc1- InChIKey
ICIXUCHUMIKLIC-UHFFFAOYSA-N- Molecular formula
- C16H17NO2
- Average molar mass
- 255.31 g/mol
- Monoisotopic mass
- 255.12592879
Names & identifiers
- Preferred name
- N-(4-methoxybenzyl)-3-methylbenzamide
- IUPAC
- N-[(4-methoxyphenyl)methyl]-3-methylbenzamide
- English name
- N-(4-methoxybenzyl)-3-methylbenzamide
- Molecular formula
- C16H17NO2
- Molecular weight
- 255.31
Names & synonyms
N-(4-methoxybenzyl)-3-methylbenzamide5348-93-6DTXSID20351804RefChem:362068DTXCID60302870N-[(4-methoxyphenyl)methyl]-3-methylbenzamide329937-59-9N-[(4-METHOXYPHENYL)METHYL]-3-METHYL-BENZAMIDEstarbld0013297Cambridge id 5348936Oprea1_502234SCHEMBL1197501
Show more names
Benzamide, N-[(4-methoxyphenyl)methyl]-3-methyl-
SCHEMBL18773965MFCD00784145AKOS002707122ST010531AB00082055-01N-(4-METHOXY-BENZYL)-3-METHYL-BENZAMIDEAG-670/34984003SR-01000206203
Database identifiers
- CAS
329937-59-9、5348-93-6- PubChem CID
- 710446
- DTXSID
DTXSID20351804- EC Number
- 167-738-4
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Boiling point
- 440.4 · 440.4±38.0 °C(Predicted)
- Density
- 1.106 · 1.106±0.06 g/cm3(Predicted)
- pka
- 14.74 · 14.74±0.46(Predicted)
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, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers2 total
阿法埃莎（中国）化学有限公司400-6106006 · [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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