5-Nitro-1,2,3,4-tetrahydroisoquinoline supplier

Name
5-NITRO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE HYDROCHLORIDE
EINECS
CAS No. 41959-45-9
Article Data6
CAS DataBase
Density 1.236 g/cm³
Solubility
Melting Point
Formula C₉H₁₀N₂O₂
Boiling Point 320.4 °C at 760 mmHg
Molecular Weight 178.191
Flash Point 147.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2,3,4-Tetrahydro-5-nitroisoquinoline;5-Nitro-1,2,3,4-tetrahydroisoquinoline;
PSA 57.85000
LogP 2.09250

5-Nitro-1,2,3,4-tetrahydroisoquinoline Specification

The 5-Nitro-1,2,3,4-tetrahydroisoquinoline with the cas number 41959-45-9 is also called Isoquinoline,1,2,3,4-tetrahydro-5-nitro-. Its molecular formula is C₉H₁₀N₂O₂. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 1.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.01; (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): 7.34; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 49.06 Å²; (12)Index of Refraction: 1.585; (13)Molar Refractivity: 48.32 cm³; (14)Molar Volume: 144.1 cm³; (15)Polarizability: 19.15×10^-24cm³; (16)Surface Tension: 49.2 dyne/cm; (17)Enthalpy of Vaporization: 56.21 kJ/mol; (18)Vapour Pressure: 0.000318 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cccc2c1CCNC2
(2)InChI: InChI=1/C9H10N2O2/c12-11(13)9-3-1-2-7-6-10-5-4-8(7)9/h1-3,10H,4-6H2
(3)InChIKey: YJNKVSVKLAVIMU-UHFFFAOYAJ

Product Name

5-NITRO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE HYDROCHLORIDE

5-Nitro-1,2,3,4-tetrahydroisoquinoline Specification

Related Products

Hot Products