- 7-Nitro-1,2,3,4-tetrahydroisoquinoline
- 7-Nitro-1,2,3,4-tetrahydroisoquinoline hydrochloride
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Cas Database |
| Name |
7-Nitro-1,2,3,4-tetrahydroisoquinoline hydrochloride |
EINECS | N/A |
| CAS No. | 99365-69-2 | Density | N/A |
| PSA | 57.85000 | LogP | 2.89450 |
| Solubility | N/A | Melting Point |
214-216 °C(Solv: methanol (67-56-1)) |
| Formula | C9H10N2O2.HCl | Boiling Point | 349 °C at 760 mmHg |
| Molecular Weight | 214.652 | Flash Point | 164.9 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | 22 | |
| Molecular Structure |
|
Hazard Symbols | Xn |
| Synonyms |
Isoquinoline,1,2,3,4-tetrahydro-7-nitro-, hydrochloride (6CI);Isoquinoline, 1,2,3,4-tetrahydro-7-nitro-,monohydrochloride (9CI);1,2,3,4-Tetrahydro-7-nitroisoquinoline hydrochloride; |
Article Data | 17 |
7-Nitro-1,2,3,4-tetrahydroisoquinoline hydrochloride Specification
The 7-Nitro-1,2,3,4-tetrahydroisoquinoline hydrochloride, with CAS registry number 99365-69-2, belongs to the following product category: Pharmacetical. It has the systematic name of 7-nitro-1,2,3,4-tetrahydroisoquinoline hydrochloride (1:1). Besides this, it is also called Isoquinoline, 1,2,3,4-tetrahydro-7-nitro-, hydrochloride (1:1). And the chemical formula of this chemical is C9H10N2O2.HCl.
Physical properties of 7-Nitro-1,2,3,4-tetrahydroisoquinoline hydrochloride: (1)ACD/LogP: 1.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0; (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): 8; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 57.85 Å2; (12)Enthalpy of Vaporization: 60.52 kJ/mol; (13)Vapour Pressure: 3.41E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=N(=O)c1ccc2CCNCc2c1
(2)InChI: InChI=1/C9H10N2O2.ClH/c12-11(13)9-2-1-7-3-4-10-6-8(7)5-9;/h1-2,5,10H,3-4,6H2;1H
(3)InChIKey: KGIXLJRTYZOUCW-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C9H10N2O2.ClH/c12-11(13)9-2-1-7-3-4-10-6-8(7)5-9;/h1-2,5,10H,3-4,6H2;1H
(5)Std. InChIKey: KGIXLJRTYZOUCW-UHFFFAOYSA-N
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