CAS 530-44-9 4-(Dimethylamino)benzophenone (HCID 10737)

Substructure search Find similar structures

Basic information

CAS: 530-44-9
Standard SMILES: CN(C)c1ccc(C(=O)c2ccccc2)cc1
InChIKey: BEUGBYXJXMVRFO-UHFFFAOYSA-N
Molecular formula: C15H15NO
Average molar mass: 225.28 g/mol
Monoisotopic mass: 225.1153641

Names & identifiers

Preferred name: 4-(Dimethylamino)benzophenone
IUPAC: [4-(dimethylamino)phenyl]-phenylmethanone
English name: 4-(Dimethylamino)benzophenone
Molecular formula: C15H15NO
Molecular weight: 225.29

Names & synonyms

4-(DIMETHYLAMINO)BENZOPHENONEp-Dimethylaminobenzophenone4-Dimethylaminobenzophenone4-benzoyl-N,N-dimethylanilineMethanone, [4-(dimethylamino)phenyl]phenyl-UNII-G8988HD9YEEINECS 208-478-4NSC 15962NSC-15962G8988HD9YEDTXSID1060188Methanone, (4-(dimethylamino)phenyl)phenyl-

Show more names

4-Dimethylaminobenzophenonp-Benzoyl-N,N-dimethylanilineP-(DIMETHYLAMINO)BENZOPHENONEN,N-DIMETHYL AMINO BENZOPHENONEBenzophenone, 4-(dimethylamino)-4-(Dimethylamino)benzophenone>4-(N,N-DIMETHYLAMINO)BENZOPHENONE4-(Dimethylamino)benzophenone,98%

NSC-28935Benzenamine,N,N-dimethyl-4-(phenylmethanone)-N,N-DIMETHYL-P-AMINOBENZOPHENONEP-DIMETHYLAMINOBENZOPHENONE [MI](4-(DIMETHYLAMINO)PHENYL)PHENYLMETHANONERefChem:97439DTXCID7041334BEUGBYXJXMVRFO-UHFFFAOYSA-N

Database identifiers

CAS: 530-44-9
PubChem CID: 10737
DTXSID: DTXSID1060188
ChEMBL: CHEMBL1502306
UNII: G8988HD9YE
EC Number: 208-478-4
Nikkaji: J79.645J

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 248

Experimental & physicochemical properties

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Physicochemical properties

Melting point: 88 · 88-90 °C(lit.)
Boiling point: 250 °C · 250 °C / 15mmHg
Density: 1.0463 · 1.0463 (rough estimate)
refractive index: 1.52 · 1.5200 (estimate)
storage temp.: Inert atmosphere,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: powder to crystal
pka: 2.12 · 2.12±0.12(Predicted)
color: White to Light yellow to Green
Water Solubility: insoluble
Merck: 14 · 14,3233
InChI: 1S/C15H15NO/c1-16(2)14-10-8-13(9-11-14)15(17)12-6-4-3-5-7-12/h3-11H,1-2H3

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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.