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Cas Database |
| Name |
tert-Butyl 2-amino-6,7-dihydrothiazolo[5,4-c]pyridine-5(4H)-carboxylate |
EINECS | N/A |
| CAS No. | 365996-05-0 | Density | 1.28 g/cm3 |
| PSA | 96.69000 | LogP | 2.53760 |
| Solubility | N/A | Melting Point |
91-94 °C |
| Formula | C11H17N3O2S | Boiling Point | 412.789 °C at 760 mmHg |
| Molecular Weight | 255.341 | Flash Point | 203.448 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Amino-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-5-carboxylicacid tert-butyl ester;2-Amino-6,7-dihydro-4H-thiazolo[5,4-c]pyridine-5-carboxylic acid tert-butylester; |
Article Data | 33 |
tert-Butyl 2-amino-6,7-dihydrothiazolo[5,4-c]pyridine-5(4H)-carboxylate Specification
The tert-Butyl 2-amino-6,7-dihydrothiazolo[5,4-c]pyridine-5(4H)-carboxylate with its CAS register number is 365996-05-0. It also can be called as Thiazolo[5,4-c]pyridine-5(4H)-carboxylicacid, 2-amino-6,7-dihydro-, 1,1-dimethylethyl ester and the systematic name about this chemical is tert-butyl 2-amino-6,7-dihydro[1,3]thiazolo[5,4-c]pyridine-5(4H)-carboxylate. It belongs to the Chiral chemicals.
Physical properties about tert-Butyl 2-amino-6,7-dihydrothiazolo[5,4-c]pyridine-5(4H)-carboxylate are: (1)ACD/LogP: 2.36; (2)ACD/LogD (pH 5.5): 2.17; (3)ACD/LogD (pH 7.4): 2.353; (4)ACD/BCF (pH 5.5): 23.676; (5)ACD/BCF (pH 7.4): 36.087; (6)ACD/KOC (pH 5.5): 296.818; (7)ACD/KOC (pH 7.4): 452.417; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 96.69Å2; (12)Index of Refraction: 1.592; (13)Molar Refractivity: 67.52 cm3; (14)Molar Volume: 199.49 cm3; (15)Polarizability: 26.767x10-24cm3; (16)Surface Tension: 57.512 dyne/cm; (17)Enthalpy of Vaporization: 66.547 kJ/mol.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCc2c(sc(n2)N)C1
(2)InChI: InChI=1/C11H17N3O2S/c1-11(2,3)16-10(15)14-5-4-7-8(6-14)17-9(12)13-7/h4-6H2,1-3H3,(H2,12,13)
(3)InChIKey: BMLHPGOMLGKYIJ-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C11H17N3O2S/c1-11(2,3)16-10(15)14-5-4-7-8(6-14)17-9(12)13-7/h4-6H2,1-3H3,(H2,12,13)
(5)Std. InChIKey: BMLHPGOMLGKYIJ-UHFFFAOYSA-N
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