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Name |
3,4-Dihydroisoquinoline |
EINECS | 221-769-0 |
CAS No. | 3230-65-7 | Density | 1.05 g/cm3 |
PSA | 12.36000 | LogP | 1.09720 |
Solubility | N/A | Melting Point |
251-254℃ |
Formula | C9H9N | Boiling Point | 241.8 °C at 760 mmHg |
Molecular Weight | 131.177 | Flash Point | 91.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37-45 | Risk Codes | 22-24-36/38 |
Molecular Structure | Hazard Symbols | T | |
Synonyms |
NSC 3007; |
Article Data | 108 |
The CAS register number of Isoquinoline,3,4-dihydro- is 3230-65-7. It also can be called as G 1616 and the IUPAC name about this chemical is 3,4-dihydroisoquinoline. The molecular formula about this chemical is C9H9N and the molecular weight is 131.17.
Physical properties about Isoquinoline,3,4-dihydro- are: (1)ACD/LogP: 1.89; (2)ACD/LogD (pH 5.5): 1.43; (3)ACD/LogD (pH 7.4): 1.88; (4)ACD/BCF (pH 5.5): 5.62; (5)ACD/BCF (pH 7.4): 15.65; (6)ACD/KOC (pH 5.5): 88.92; (7)ACD/KOC (pH 7.4): 247.65; (8)#H bond acceptors: 1; (9)Polar Surface Area: 12.36Å2; (10)Index of Refraction: 1.587; (11)Molar Refractivity: 41.97 cm3; (12)Molar Volume: 124.8 cm3; (13)Polarizability: 16.64x10-24cm3; (14)Surface Tension: 38.9 dyne/cm; (15)Flash Point: 91.6 °C; (16)Enthalpy of Vaporization: 45.93 kJ/mol; (17)Boiling Point: 241.8 °C at 760 mmHg; (18)Vapour Pressure: 0.0548 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N\2=C\c1c(cccc1)CC/2
(2)InChI: InChI=1/C9H9N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,7H,5-6H2
(3)InChIKey: NKSZCPBUWGZONP-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C9H9N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,7H,5-6H2
(5)Std. InChIKey: NKSZCPBUWGZONP-UHFFFAOYSA-N