Products Categories
| CAS No.: | 4456-77-3 |
|---|---|
| Name: | 1,2,3,4-Tetrahydroisoquinoline-1,3-dione |
| Molecular Structure: | |
|
|
|
| Formula: | C9H7NO2 |
| Molecular Weight: | 161.16 |
| Synonyms: | Homophthalimide;1,2,3,4-Tetrahydro-1,3-dioxoisoquinoline;Isoquinoline-1,3(2H,4H)-dione;1,3[2H,4H]-Isoquinolinedione;4H-Isoquinoline-1,3-dione;1,3(2H,4H)-Isoquinolinedione; |
| EINECS: | 1533716-785-6 |
| Density: | 1.286 g/cm3 |
| Melting Point: | 223 °C |
| Boiling Point: | 377.148 °C at 760 mmHg |
| Flash Point: | 183.887 °C |
| PSA: | 46.17000 |
| LogP: | 0.82790 |
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- Total:37 Page 1 of 1 1
What can I do for you?
Get Best Price
Specification
The 1, 3 (2H, 4H)-Isoquinolinedione, with the CAS registry number of 4456-77-3, is also known as 1, 2, 3, 4-Tetrahydroisoquinoline-1, 3-dione. This chemical's molecular formula is C9H7NO2 and molecular weight is 161.15738. What's more, its IUPAC name is 4H-Isoquinoline-1, 3-dione.
Physical properties about 1, 3 (2H, 4H)-Isoquinolinedione are: (1)ACD/LogP: 0.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.209; (4)ACD/LogD (pH 7.4): 0.208; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 30.933; (8)ACD/KOC (pH 7.4): 30.89; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 46.17 Å2; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 42.036 cm3; (15)Molar Volume: 125.291 cm3; (16)Surface Tension: 48.781 dyne/cm; (17)Density: 1.286 g/cm3; (18)Flash Point: 183.887 °C; (19)Enthalpy of Vaporization: 62.488 kJ/mol; (20)Boiling Point: 377.148 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc2c(c1)CC(=O)NC2=O
(2) InChI: InChI=1/C9H7NO2/c11-8-5-6-3-1-2-4-7(6)9(12)10-8/h1-4H,5H2,(H,10,11,12)
(3) InChIKey: QGNQEODJYRGEJX-UHFFFAOYAB