Isoquinoline,1-(bromomethyl)-1,2,3,4-tetrahydro- supplier

Name
1-BROMOMETHYL-1,2,3,4-TETRAHYDROISOQUINOLINE
EINECS
CAS No. 130109-95-4
Density 1.357g/cm³
Solubility
Melting Point
Formula C₁₀H₁₂BrN
Boiling Point 314.9 °C at 760 mmHg
Molecular Weight 226.113
Flash Point 144.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-BROMOMETHYL-1,2,3,4-TETRAHYDROISOQUINOLINE
PSA 12.03000
LogP 2.59710

Isoquinoline,1-(bromomethyl)-1,2,3,4-tetrahydro- Specification

The Isoquinoline,1-(bromomethyl)-1,2,3,4-tetrahydro-, with CAS registry number 130109-95-4, has the systematic name of 1-(bromomethyl)-1,2,3,4-tetrahydroisoquinoline. Its molecular weight is 226.113. And the chemical formula of this chemical is C₁₀H₁₂BrN.

Physical properties of Isoquinoline,1-(bromomethyl)-1,2,3,4-tetrahydro-: (1)ACD/LogP: 2.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1.15; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 2.47; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 33.65; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 12.03 Å²; (12)Index of Refraction: 1.564; (13)Molar Refractivity: 54.2 cm³; (14)Molar Volume: 166.5 cm³; (15)Polarizability: 21.48×10^-24cm³; (16)Surface Tension: 41.5 dyne/cm; (17)Density: 1.357 g/cm³; (18)Flash Point: 144.2 °C; (19)Enthalpy of Vaporization: 55.61 kJ/mol; (20)Boiling Point: 314.9 °C at 760 mmHg; (21)Vapour Pressure: 0.000453 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCC1NCCc2ccccc12
(2)InChI: InChI=1/C10H12BrN/c11-7-10-9-4-2-1-3-8(9)5-6-12-10/h1-4,10,12H,5-7H2
(3)InChIKey: IUHXMWQLNAFUOA-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C10H12BrN/c11-7-10-9-4-2-1-3-8(9)5-6-12-10/h1-4,10,12H,5-7H2
(5)Std. InChIKey: IUHXMWQLNAFUOA-UHFFFAOYSA-N

Product Name

1-BROMOMETHYL-1,2,3,4-TETRAHYDROISOQUINOLINE

Isoquinoline,1-(bromomethyl)-1,2,3,4-tetrahydro- Specification

Related Products

Hot Products