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| CAS No.: | 886588-61-0 |
|---|---|
| Name: | 3-(R)-PIPERIDINYL PHTHALIMIDE HYDROCHLORIDE |
| Molecular Structure: | |
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| Formula: | C13H14N2O2 |
| Molecular Weight: | 230.266 |
| Synonyms: | 3-(R)-PIPERIDINYL PHTHALIMIDE HYDROCHLORIDE;(R)-2-(Piperidin-3-yl)isoindoline-1,3-dione hydrochloride;2-(3R)-3-Piperidinyl-1H-isoindole-1,3(2H)-dione |
| Density: | 1.288 g/cm3 |
| Boiling Point: | 377.411 °C at 760 mmHg |
| Flash Point: | 182.052 °C |
| PSA: | 49.41000 |
| LogP: | 2.10330 |
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- Total:28 Page 1 of 1 1
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Specification
The 2-[(3R)-3-Piperidinyl]-1H-isoindole-1,3(2H)-dione, with the CAS registry number 886588-61-0, is also known as 7-Amino-1,3-benzothiazole. This chemical's molecular formula is C13H14N2O2 and molecular weight is 230.26. What's more, its systematic name is 2-[(3R)-3-Piperidinyl]-1H-isoindole-1,3(2H)-dione.
Physical properties of 2-[(3R)-3-Piperidinyl]-1H-isoindole-1,3(2H)-dione are: (1)ACD/LogP: 1.636; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.40; (4)ACD/LogD (pH 7.4): -0.31; (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): 2.10; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 49.41 Å2; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 62.093 cm3; (15)Molar Volume: 178.719 cm3; (16)Polarizability: 24.616×10-24cm3; (17)Surface Tension: 54.8 dyne/cm; (18)Density: 1.288 g/cm3; (19)Flash Point: 182.052 °C; (20)Enthalpy of Vaporization: 62.517 kJ/mol; (21)Boiling Point: 377.411 °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=C2N(C(=O)c1ccccc12)[C@@H]3CCCNC3
(2)Std. InChI: InChI=1S/C13H14N2O2/c16-12-10-5-1-2-6-11(10)13(17)15(12)9-4-3-7-14-8-9/h1-2,5-6,9,14H,3-4,7-8H2/t9-/m1/s1
(3)Std. InChIKey: POAZMSVKCTYEPJ-SECBINFHSA-N