CAS 519-87-9 N,N-Diphenylacetamide (HCID 10615)

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Basic information

CAS: 519-87-9
Standard SMILES: CC(=O)N(c1ccccc1)c1ccccc1
InChIKey: DKLYDESVXZKCFI-UHFFFAOYSA-N
Molecular formula: C14H13NO
Average molar mass: 211.26 g/mol
Monoisotopic mass: 211.09971404

Names & identifiers

Preferred name: N,N-Diphenylacetamide
IUPAC: N,N-diphenylacetamide
English name: N,N-Diphenylacetamide
Molecular formula: C14H13NO
Molecular weight: 211.26

Names & synonyms

N,N-DiphenylacetamideDiphenylacetamideACETAMIDE, N,N-DIPHENYL-NSC 3133EINECS 208-277-1UNII-35M55LM81KBRN 2210614AI3-0078835M55LM81KNSC-3133DIPHENYLACETAMIDE [MI]DTXSID8060165

Show more names

NSC3133TIMTEC-BB SBB008722n,n-diphenyl-acetamid

4-12-00-00381 (Beilstein Handbook Reference)RefChem:161332DTXCID7041099DKLYDESVXZKCFI-UHFFFAOYSA-N519-87-9N-AcetyldiphenylamineN-PhenylacetanilideAcetyldiphenylamine

Database identifiers

CAS: 519-87-9
PubChem CID: 10615
DTXSID: DTXSID8060165
UNII: 35M55LM81K
EC Number: 208-277-1
Nikkaji: J72.577C

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 209

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

LogP2.05

Physicochemical properties

Melting point: 100 · 100-103 °C(lit.)
Boiling point: 130 °C0.02 · 130 °C0.02 mm Hg(lit.)
Density: 1.0694 · 1.0694 (rough estimate)
refractive index: 1.578 · 1.5780 (estimate)
storage temp.: 30 °C · Store below +30°C.
pka: -3.21 · -3.21±0.50(Predicted)
form: powder to crystal
color: White to Light yellow
Merck: 14 · 14,3315
InChI: 1S/C14H13NO/c1-12(16)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3
InChIKey: DKLYDESVXZKCFI-UHFFFAOYSA-N
SMILES

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationAcetamide, N,N-diphenyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: 3
tsca: TSCA listed
rtecs: AB8133000
hs_code: 2924 29 70
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationAcetamide, N,N-diphenyl-: ACTIVE

Applications

UsesN,N-Diphenylacetamide (N-Acetyldiphenylamine) has N,N-disubstituted amide group and can be used as a mono- as well as a bidentate ligand generating four-membered chelate rings[1].