Basic information
- CAS
954-21-2- Standard SMILES
CNC(=O)C(c1ccccc1)c1ccccc1- InChIKey
DIZKGJLRHOCMTP-UHFFFAOYSA-N- Molecular formula
- C15H15NO
- Average molar mass
- 225.28 g/mol
- Monoisotopic mass
- 225.1153641
Names & identifiers
- Preferred name
- Desmethyl diphenamid
- IUPAC
- N-methyl-2,2-diphenylacetamide
- English name
- DESMETHYL DIPHENAMID
- Molecular formula
- C15H15NO
- Molecular weight
- 225.29
Names & synonyms
N-Methyl-2,2-diphenylacetamide954-21-2NordiphenamideDesmethyl diphenamid2,2-DIPHENYL-N-METHYLACETAMIDEN-methyl-alpha-phenylbenzeneacetamideDTXSID4042208VNV5HO1ZVIAcetamide, N-methyl-2,2-diphenyl-NSC 401956NSC-401956DTXCID2022208
Show more names
diphenamid desmethylDesmethyl diphenamideN-methyldiphenylacetamideBenzeneacetamide, N-methyl-α-phenyl-
Benzeneacetamide, N-methyl-alpha-phenyl-RefChem:585802Acetamide, N-methyl-2,2-diphenyl-(8CI)Benzeneacetamide, N-methyl-alpha-phenyl-(9CI)635-551-1NordiphenamidBenzeneacetamide, N-methyl-.alpha.-phenyl-UNII-VNV5HO1ZVI
Database identifiers
- CAS
954-21-2- PubChem CID
- 70381
- DTXSID
DTXSID4042208- ChEMBL
CHEMBL3188003- UNII
- VNV5HO1ZVI
- EC Number
- 635-551-1
- Nikkaji
- J7.189G
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 221
Experimental & physicochemical properties
SpringerMaterials PropertiesFusion temperature
Collision Cross Section153.4 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID4042208]
Physicochemical properties
- Melting point
- 164.5 °C · 164.5 °C(Solv: ethanol (64-17-5))
- Boiling point
- 424.5 · 424.5±34.0 °C(Predicted)
- Density
- 1.08 · 1.080±0.06 g/cm3(Predicted)
- pka
- 15.48 · 15.48±0.46(Predicted)
- FDA UNII
- 5 HO1ZVI · VNV5HO1ZVI
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers6 total
阳谷荣科商贸有限公司15863541132 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [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]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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