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| CAS No.: | 146986-50-7 |
|---|---|
| Name: | Y-27632 DIHYDROCHLORIDE |
| Molecular Structure: | |
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| Formula: | C14H21N3O |
| Molecular Weight: | 247.34 |
| Synonyms: | 4-[(1R)-1-Aminoethyl]-N-(4-pyridinyl)cyclohexanecarboxamide;4-[(1R)-1-Aminoethyl]-N-(pyridin-4-yl)cyclohexanecarboxamide; |
| EINECS: | 1312995-182-4 |
| Density: | 1.137 g/cm3 |
| Boiling Point: | 462.595 °C at 760 mmHg |
| Flash Point: | 233.569 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 20/21/22 |
| Safety: | 36 |
| PSA: | 68.01000 |
| LogP: | 2.94700 |
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Specification
The Y 27632, with the CAS registry number 146986-50-7, is also known as 4-[(1R)-1-Aminoethyl]-N-(pyridin-4-yl)cyclohexanecarboxamide. This chemical's molecular formula is C14H21N3O and molecular weight is 247.34. What's more, its systematic name is 4-[(1R)-1-Aminoethyl]-N-(4-pyridinyl)cyclohexanecarboxamide. This chemical inhibits Rho-associated protein kinase; inhibits calcium sensitization to affect smooth muscle relaxation.
Physical properties of Coumarin 30 are: (1)ACD/LogP: 1.538; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.16; (4)ACD/LogD (pH 7.4): -1.38; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 68.01 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 72.282 cm3; (15)Molar Volume: 217.549 cm3; (16)Polarizability: 28.655×10-24cm3; (17)Surface Tension: 53.1 dyne/cm; (18)Density: 1.137 g/cm3; (19)Flash Point: 233.569 °C; (20)Enthalpy of Vaporization: 72.367 kJ/mol; (21)Boiling Point: 462.595 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccncc1)C2CCC([C@H](N)C)CC2
(2)Std. InChI: InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11?,12?/m1/s1
(3)Std. InChIKey: IYOZTVGMEWJPKR-VOMCLLRMSA-N