Cas no 14072-67-4 (Benzeneacetamide, a-butyl-)
Benzeneacetamide, a-butyl- structure
Product Name:Benzeneacetamide, a-butyl-
CAS No:14072-67-4
MF:C12H17NO
MW:191.269483327866
CID:229285
PubChem ID:233256
Update Time:2025-04-19
Benzeneacetamide, a-butyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetamide, a-butyl-
- (+-)-2-Phenyl-buttersaeure-(2-methoxy-phenylester)
- (+-)-2-phenyl-butyric acid-(2-methoxy-phenyl ester)
- (+-)-2-phenyl-hexanoic acid amide
- (+-)-2-Phenyl-hexansaeure-amid
- 2-methoxyphenyl 2-phenylbutanoate
- 2-Methoxyphenyl 2-phenylbutyrate
- 2-Phenyl-hexansaeure-amid
- AC1MJ3AA
- AG-F-45363
- CTK4I3967
- EINECS 255-132-3
- KB-231265
- NSC-31623
- NSC31623
- 14072-67-4
- SCHEMBL528414
-
- Inchi： 1S/C12H17NO/c1-2-3-9-11(12(13)14)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3,(H2,13,14)
- InChI Key： HCSXFDJPRCEICS-UHFFFAOYSA-N
- SMILES： O=C(C(C1C=CC=CC=1)CCCC)N
Computed Properties
- Exact Mass: 191.13111
- Monoisotopic Mass: 191.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 173
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 43.1?2
Experimental Properties
- Density: 1.007
- Boiling Point: 343.2°Cat760mmHg
- Flash Point: 161.4°C
- Refractive Index: 1.522
- PSA: 43.09
Benzeneacetamide, a-butyl- Related Literature
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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