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Tricyclo[3.3.1.13,7]decan-2-amine,N-(4-bromophenyl)- CAS NO.87913-26-6
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Keywords
- 87913-26-6
Quick Details
- ProName: Tricyclo[3.3.1.13,7]decan-2-amine,N-(4...
- CasNo: 87913-26-6
- Molecular Formula: C16H20BrN
- Application: 87913-26-6
- ProductionCapacity: Metric Ton/Day
- Purity: 98%
- Transportation: 87913-26-6
- LimitNum: 0 Metric Ton
Superiority
The Tricyclo[3.3.1.13,7]decan-2-amine,N-(4-bromophenyl)- is an organic compound with the formula C16H20BrN. With the CAS registry number 87913-26-6, the systematic name of this chemical is N-(4-bromophenyl)tricyclo[3.3.1.13,7]decan-2-amine.
Physical properties about Tricyclo[3.3.1.13,7]decan-2-amine,N-(4-bromophenyl)- are: (1)ACD/LogP: 5.66; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.65; (4)ACD/LogD (pH 7.4): 5.66; (5)ACD/BCF (pH 5.5): 11411.93; (6)ACD/BCF (pH 7.4): 11744.63; (7)ACD/KOC (pH 5.5): 27685.58; (8)ACD/KOC (pH 7.4): 28492.72; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 79.13 cm3; (15)Molar Volume: 220.5 cm3; (16)Polarizability: 31.37×10-24cm3; (17)Surface Tension: 48.3 dyne/cm; (18)Density: 1.388 g/cm3; (19)Flash Point: 198.6 °C; (20)Enthalpy of Vaporization: 65.63 kJ/mol; (21)Boiling Point: 404.8 °C at 760 mmHg; (22)Vapour Pressure: 9.22E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(cc1)NC4C2CC3CC4CC(C2)C3
(2)InChI: InChI=1/C16H20BrN/c17-14-1-3-15(4-2-14)18-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16,18H,5-9H2
(3)InChIKey: LWJALJDRFBXHKX-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C16H20BrN/c17-14-1-3-15(4-2-14)18-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16,18H,5-9H2
(5)Std. InChIKey: LWJALJDRFBXHKX-UHFFFAOYSA-N
Details
The Tricyclo[3.3.1.13,7]decan-2-amine,N-(4-bromophenyl)- is an organic compound with the formula C16H20BrN. With the CAS registry number 87913-26-6, the systematic name of this chemical is N-(4-bromophenyl)tricyclo[3.3.1.13,7]decan-2-amine.
Physical properties about Tricyclo[3.3.1.13,7]decan-2-amine,N-(4-bromophenyl)- are: (1)ACD/LogP: 5.66; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.65; (4)ACD/LogD (pH 7.4): 5.66; (5)ACD/BCF (pH 5.5): 11411.93; (6)ACD/BCF (pH 7.4): 11744.63; (7)ACD/KOC (pH 5.5): 27685.58; (8)ACD/KOC (pH 7.4): 28492.72; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 79.13 cm3; (15)Molar Volume: 220.5 cm3; (16)Polarizability: 31.37×10-24cm3; (17)Surface Tension: 48.3 dyne/cm; (18)Density: 1.388 g/cm3; (19)Flash Point: 198.6 °C; (20)Enthalpy of Vaporization: 65.63 kJ/mol; (21)Boiling Point: 404.8 °C at 760 mmHg; (22)Vapour Pressure: 9.22E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(cc1)NC4C2CC3CC4CC(C2)C3
(2)InChI: InChI=1/C16H20BrN/c17-14-1-3-15(4-2-14)18-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16,18H,5-9H2
(3)InChIKey: LWJALJDRFBXHKX-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C16H20BrN/c17-14-1-3-15(4-2-14)18-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16,18H,5-9H2
(5)Std. InChIKey: LWJALJDRFBXHKX-UHFFFAOYSA-N
