Basic information
- CAS
7654-03-7- Standard SMILES
CC(NNC(=O)c1ccccc1)c1ccccc1- InChIKey
BEWNZPMDJIGBED-UHFFFAOYSA-N- Molecular formula
- C15H16N2O
- Average molar mass
- 240.3 g/mol
- Monoisotopic mass
- 240.12626314
Names & identifiers
- Preferred name
- Benmoxin
- IUPAC
- N'-(1-phenylethyl)benzohydrazide
- English name
- Benmoxine
- Molecular formula
- C15H16N2O
- Molecular weight
- 240.3
Names & synonyms
BenmoxinBenmoxineN'-(1-phenylethyl)benzohydrazide7654-03-7MEBAMOXINEBenmoxinaBenmoxinumDTXSID0046220XC9FY2SGBG1-Benzoyl-2-(alpha-methylbenzyl)hydrazineDTXCID8026220RefChem:117012
Show more names
75-20-C1-Benzoyl-2-(α-methylbenzyl)hydrazineBenzoic acid, 2-(1-phenylethyl)hydrazideBenzoic acid 2-(α-methylbenzyl) hydrazideBENZOIC ACID N'-(1-PHENYL-ETHYL)-HYDRAZIDE
231-619-6NerusilNeuralex75-20 CNCGC00160545-01Benzoic acid 2-(.alpha.-methylbenzyl)hydrazideBenmoxin [INN:DCF]Benmoxine [INN-French]
Database identifiers
- CAS
7654-03-7- PubChem CID
- 71671
- DTXSID
DTXSID0046220- ChEMBL
CHEMBL1877495- ChEBI
CHEBI:134978- UNII
- XC9FY2SGBG
- EC Number
- 231-619-6
- Nikkaji
- J8.957E
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- Melting point
- 93 · 93-94°
- Boiling point
- 383.02 °C · 383.02°C (rough estimate)
- Density
- 1.0611 · 1.0611 (rough estimate)
- refractive index
- 1.639 · 1.6390 (estimate)
- pka
- 12.29 · 12.29±0.23(Predicted)
- FDA UNII
- 9 FY2SGBG · XC9FY2SGBG
- RIDADR
- 3249 · 3249
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
- Toxicity
- 50 oral · LD50 oral in rat: 675mg/kg
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, 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%)；Skin Sens. 1 (100%)
Safety data
- ridadr
- 3249
- Toxicity
- LD50 oral in rat: 675mg/kg
- hazard_class
- 6.1(b)
- packing_group
- III
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers7 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
无锡捷化医药科技有限公司0510-83588313-811 18800520310 · [email protected]
上海高蹈医药科技有限公司021-15001867143 15001867143 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Additional notes
DefinitionChEBI: Benmoxin is a member of benzoic acids.
Related reactions
3 records
Compound notes
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