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| CAS No.: | 61424-26-8 |
|---|---|
| Name: | 3-BENZYLANILINE |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C13H13N |
| Molecular Weight: | 183.253 |
| Synonyms: | m-Toluidine, a-phenyl- (6CI);3-Benzylaniline;3-Benzylbenzenamine;3-Benzylphenylamine;NSC 210972; |
| Density: | 1.07 g/cm3 |
| Melting Point: | 48-52 °C(lit.) |
| Boiling Point: | 327.2 °C at 760 mmHg |
| Flash Point: | 162.5 °C |
| Appearance: | solid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 10-36/37/38 |
| Safety: | 16-26-36 |
| Transport Information: | UN 1325 |
| PSA: | 26.02000 |
| LogP: | 3.44080 |
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- Total:20 Page 1 of 1 1
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Specification
This chemical is called Benzenamine, 3-(phenylmethyl)-, and its systematic name is 3-benzylaniline. With the molecular formula of C13H13N, its product categories are Amines; C11 to C38; Nitrogen Compounds. The CAS registry number of this chemical is 61424-26-8. In addition, this chemical should be sealed in the cool and dry place, away from oxides.
Other characteristics of the Benzenamine, 3-(phenylmethyl)- can be summarised as followings: (1)ACD/LogP: 2.93; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 3.24 Å2; (7)Index of Refraction: 1.616; (8)Molar Refractivity: 59.8 cm3; (9)Molar Volume: 171.1 cm3; (10)Polarizability: 23.7×10-24cm3; (11)Surface Tension: 45.3 dyne/cm; (12)Density: 1.07 g/cm3; (13)Flash Point: 162.5 °C; (14)Enthalpy of Vaporization: 56.95 kJ/mol; (15)Boiling Point: 327.2 °C at 760 mmHg; (16)Vapour Pressure: 0.000205 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. For it's flammable, keep it away from the sources of ignition.
You can still convert the following datas into molecular structure:
1.SMILES: c1(ccccc1)Cc2cc(N)ccc2
2.InChI: InChI=1/C13H13N/c14-13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h1-8,10H,9,14H2
3.InChIKey: GZYMMTQDXHJALZ-UHFFFAOYAR