Basic information
- CAS
40478-34-0- Standard SMILES
COc1ccc(CCC(=O)NCc2ccccc2)cc1- InChIKey
YZQICPWATBOPQD-UHFFFAOYSA-N- Molecular formula
- C17H19NO2
- Average molar mass
- 269.34 g/mol
- Monoisotopic mass
- 269.14157885
Names & identifiers
- Preferred name
- Hydrocinnamamide, N-benzyl-p-methoxy-
- IUPAC
- N-benzyl-3-(4-methoxyphenyl)propanamide
Names & synonyms
40478-34-0Hydrocinnamamide, N-benzyl-p-methoxy-BRN 2985716N-Benzyl-p-methoxyhydrocinnamamideBenzenepropanamide, 4-methoxy-N-(phenylmethyl)-N-Benzyl-beta-4-methoxyphenylpropionamid [German]N-Benzyl-beta-4-methoxyphenylpropionamidDTXSID50193491RefChem:348292DTXCID60115982N-benzyl-3-(4-methoxyphenyl)propanamideSCHEMBL7293721
Show more names
YZQICPWATBOPQD-UHFFFAOYSA-NAKOS003020917N-Benzyl-3-(4-methoxyphenyl) propanamideAO-548/13410859N-BENZYL-3-(4-METHOXY-PHENYL)-PROPIONAMIDEZ27748355
Database identifiers
- CAS
40478-34-0- PubChem CID
- 64876
- DTXSID
DTXSID50193491- EC Number
- 152-110-4
- Nikkaji
- J2.528.613H
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 279
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%)
Related reactions
4 records
Compound notes
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