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CAS No.: | 63823-26-7 |
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Name: | 7-Chloro-1,2,3,4-tetrahydronaphthalen-2-amine |
Molecular Structure: | |
Formula: | C10H12ClN |
Molecular Weight: | 181.66 |
Synonyms: | 7-Chloro-1,2,3,4-tetrahydronaphthalen-2-amine;2-naphthalenamine, 7-chloro-1,2,3,4-tetrahydro-; |
Density: | 1.166g/cm3 |
Boiling Point: | 284.2 °C at 760 mmHg |
Flash Point: | 125.7 °C |
PSA: | 26.02000 |
LogP: | 2.85630 |
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The 7-Chloro-1,2,3,4-tetrahydronaphthalen-2-amine with cas registry number of 63823-26-7, whose systematic name is 7-chloro-1,2,3,4-tetrahydronaphthalen-2-amine. And it is also named 2-naphthalenamine, 7-chloro-1,2,3,4-tetrahydro-.
Physical properties about this chemical are: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.26; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 2.6; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.575; (12)Molar Refractivity: 51.48 cm3; (13)Molar Volume: 155.7 cm3; (14)Polarizability: 20.41×10-24cm3; (15)Surface Tension: 43.1 dyne/cm; (16)Enthalpy of Vaporization: 52.31 kJ/mol; (17)Vapour Pressure: 0.00303 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:Clc1ccc2c(c1)CC(N)CC2;
(2)InChI:InChI=1/C10H12ClN/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1,3,5,10H,2,4,6,12H2;
(3)InChIKey:YGTHAPVEIKCPDM-UHFFFAOYAL;
(4)Std. InChI:InChI=1S/C10H12ClN/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1,3,5,10H,2,4,6,12H2;
(5)Std. InChIKey:YGTHAPVEIKCPDM-UHFFFAOYSA-N