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| CAS No.: | 167762-80-3 |
|---|---|
| Name: | 4-CYANOPHENYLETHYLAMINE HCL |
| Molecular Structure: | |
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| Formula: | C9H10N2.HCl |
| Molecular Weight: | 182.653 |
| Synonyms: | 4-(2-Amino-ethyl)-benzonitrile hydrochloride;P-Cyano Phenylethylamine Hydrochloride;4-(2-aminoethyl)-benzonitrilehydrochloride; |
| EINECS: | 205-525-8 |
| Melting Point: | 211-216°C |
| Boiling Point: | 319.5 °C at 760 mmHg |
| Flash Point: | 147 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 20/21/22 |
| Safety: | 36/37 |
| PSA: | 49.81000 |
| LogP: | 2.56178 |
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Specification
The 4-(2-Aminoethyl)benzonitrile hydrochloride with cas registry number of 167762-80-3, has the systematic name of 4-(2-aminoethyl)benzonitrile hydrochloride. And its IUPAC name is the same one, which is 4-(2-aminoethyl)benzonitrile hydrochloride.
Physical properties about this chemical are: (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 49.81 Å2; (7)Flash Point: 147 °C; (8)Enthalpy of Vaporization: 57.23 kJ/mol; (9)Boiling Point: 319.5 °C at 760 mmHg; (10)Vapour Pressure: 0.000247 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: NCCc1ccc(cc1)C#N.Cl;
(2)InChI: InChI=1/C9H10N2.ClH/c10-6-5-8-1-3-9(7-11)4-2-8;/h1-4H,5-6,10H2;1H;
(3)InChIKey: LTYHPCKZVFOVCH-UHFFFAOYAS;
(4)Std. InChI: InChI=1S/C9H10N2.ClH/c10-6-5-8-1-3-9(7-11)4-2-8;/h1-4H,5-6,10H2;1H;
(5)Std. InChIKey: LTYHPCKZVFOVCH-UHFFFAOYSA-N