Cas no 70964-44-2 (Ethanone,2-(diethylamino)-1-phenyl-, hydrochloride (1:1))
70964-44-2 structure
Product Name:Ethanone,2-(diethylamino)-1-phenyl-, hydrochloride (1:1)
CAS No:70964-44-2
MF:C12H18ClNO
MW:227.730422496796
CID:577274
PubChem ID:19842506
Update Time:2025-04-19
Ethanone,2-(diethylamino)-1-phenyl-, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,2-(diethylamino)-1-phenyl-, hydrochloride (1:1)
- 2-(diethylamino)-1-phenylethanone,hydrochloride
- SCHEMBL9736036
- 70964-44-2
- DTXSID50600514
- NSC-96579
- NFFLXRXZSBPNNO-UHFFFAOYSA-N
- 2-(Diethylamino)-1-phenylethan-1-one--hydrogen chloride (1/1)
- N,N-diethylphenacylamine hydrochloride
- NSC96579
-
- Inchi： 1S/C12H17NO.ClH/c1-3-13(4-2)10-12(14)11-8-6-5-7-9-11;/h5-9H,3-4,10H2,1-2H3;1H
- InChI Key： NFFLXRXZSBPNNO-UHFFFAOYSA-N
- SMILES： Cl.O=C(C1C=CC=CC=1)CN(CC)CC
Computed Properties
- Exact Mass: 227.108
- Monoisotopic Mass: 227.108
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 169
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 20.3A^2
Experimental Properties
- Density: 0.984
- Boiling Point: 280.5°Cat760mmHg
- Flash Point: 93.8°C
- Refractive Index: 1.514
- PSA: 20.31000
- LogP: 3.01310
Ethanone,2-(diethylamino)-1-phenyl-, hydrochloride (1:1) Related Literature
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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