Basic information
- CAS
3940-84-9- Standard SMILES
COc1cc(C(=O)NCc2ccccc2)cc(OC)c1OC- InChIKey
IUHYGONSJUAHBM-UHFFFAOYSA-N- Molecular formula
- C17H19NO4
- Average molar mass
- 301.34 g/mol
- Monoisotopic mass
- 301.13140809
Names & identifiers
- Preferred name
- N-Benzyl-3,4,5-trimethoxybenzamide
- IUPAC
- N-benzyl-3,4,5-trimethoxybenzamide
- English name
- N-benzyl-3,4,5-trimethoxybenzamide
- Molecular formula
- C17H19NO4
- Molecular weight
- 301.34
Names & synonyms
N-benzyl-3,4,5-trimethoxybenzamide3940-84-9RefChem:829149661-497-33,4,5-TRIMETHOXY-N-(PHENYLMETHYL)BENZAMIDEChemDiv3_001221Oprea1_369317Oprea1_642406SCHEMBL2919972IUHYGONSJUAHBM-UHFFFAOYSA-NHMS1476H11STL355863
Show more names
Benzamide, 3,4,5-trimethoxy-N-(phenylmethyl)-
AKOS001596699IDI1_020187NCGC00172875-01CS-0332454N-benzyl(3,4,5-trimethoxyphenyl)carboxamideST50439850H60263SR-01000426713
Database identifiers
- CAS
3940-84-9- PubChem CID
- 736962
- EC Number
- 661-497-3
- Nikkaji
- J3.508.841E
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- Melting point
- 140.5 °C · 140.5 °C
- Boiling point
- 421.2 · 421.2±45.0 °C(Predicted)
- Density
- 1.148 · 1.148±0.06 g/cm3(Predicted)
- pka
- 14.19 · 14.19±0.46(Predicted)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- Precautionary statements
- 273 · P273-P391-P501
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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H400
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Suppliers8 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
哈辉（上海）医药技术有限公司021-13472633-721 13472633721 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
5 records
Compound notes
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