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| CAS No.: | 7216-22-0 |
|---|---|
| Name: | 2,3,4,5-Tetrahydro-1H-2-benzazepine Hydrochloride |
| Molecular Structure: | |
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| Formula: | C10H13N |
| Molecular Weight: | 147.22 |
| Synonyms: | 2,3,4,5-tetrahydro-1H-2-benzazepine;2,3,4,5-tetrahydro-[1H]-2-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine; |
| Density: | 0.981 g/cm3 |
| Melting Point: | 181-184 °C(Solv: ethanol (64-17-5)) |
| Boiling Point: | 248.554 °C at 760 mmHg |
| Flash Point: | 107.108 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 12.03000 |
| LogP: | 2.05120 |
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Specification
The 1H-2-Benzazepine, 2,3,4,5-tetrahydro-, with the CAS registry number 7216-22-0, has the systematic name of 2,3,4,5-tetrahydro-1H-2-benzazepine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of this chemical is C10H13N.
The physical properties of 1H-2-Benzazepine, 2,3,4,5-tetrahydro- are as followings: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.03 Å2; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 46.387 cm3; (15)Molar Volume: 150.034 cm3; (16)Polarizability: 18.389×10-24cm3; (17)Surface Tension: 35.549 dyne/cm; (18)Density: 0.981 g/cm3; (19)Flash Point: 107.108 °C; (20)Enthalpy of Vaporization: 48.575 kJ/mol; (21)Boiling Point: 248.554 °C at 760 mmHg; (22)Vapour Pressure: 0.024 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1)CNCCC2
(2)InChI: InChI=1/C10H13N/c1-2-5-10-8-11-7-3-6-9(10)4-1/h1-2,4-5,11H,3,6-8H2
(3)InChIKey: SIQBPWRTJNBBER-UHFFFAOYAI