Cas no 73663-77-1 (Benzeneacetonitrile,4-amino-a-(4-methylphenyl)-,monohydrochloride (9CI))
73663-77-1 structure
Product Name:Benzeneacetonitrile,4-amino-a-(4-methylphenyl)-,monohydrochloride (9CI)
CAS No:73663-77-1
MF:C15H15ClN2
MW:258.746002435684
CID:564859
PubChem ID:51981
Update Time:2025-04-19
Benzeneacetonitrile,4-amino-a-(4-methylphenyl)-,monohydrochloride (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetonitrile,4-amino-a-(4-methylphenyl)-,monohydrochloride (9CI)
- [4-[cyano(p-tolyl)methyl]phenyl]ammonium chloride
- (p-Aminophenyl)(p-tolyl)acetonitrile hydrochloride
- Benzeneacetonitrile, 4-amino-alpha-(4-methylphenyl)-, monohydrochloride
- NSC 102524
- alpha-(4-Aminophenyl)-4-methylbenzyl cyanide
- NS00058941
- ACETONITRILE, (p-AMINOPHENYL)(p-TOLYL)-, HYDROCHLORIDE
- EINECS 277-564-1
- (4-(Cyano(p-tolyl)methyl)phenyl)ammonium chloride
- 73663-77-1
-
- Inchi： 1S/C15H14N2.ClH/c1-11-2-4-12(5-3-11)15(10-16)13-6-8-14(17)9-7-13;/h2-9,15H,17H2,1H3;1H
- InChI Key： UXWNAZIHSFDGKA-UHFFFAOYSA-N
- SMILES： [Cl-].[NH3+]C1C=CC(=CC=1)C(C#N)C1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 258.09200
- Monoisotopic Mass: 258.092
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 275
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 49.8A^2
Experimental Properties
- Density: 1.122
- Boiling Point: 399.9°C at 760 mmHg
- Flash Point: 195.6°C
- Refractive Index: 1.615
- PSA: 49.81000
- LogP: 4.61588
Benzeneacetonitrile,4-amino-a-(4-methylphenyl)-,monohydrochloride (9CI) Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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