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CAS No.: | 106006-84-2 |
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Name: | (6S)-2-Amino-6-propionamidotetrahydrobenzothiazole |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C10H15N3OS |
Molecular Weight: | 225.315 |
Synonyms: | Propanamide,N-(2-amino-4,5,6,7-tetrahydro-6-benzothiazolyl)-, (S)-;S-(-)-2-Amino-6-propionamido-4,5,6,7-tetrahydrobenzothiazole; |
EINECS: | 600-709-0 |
Density: | 1.26 g/cm3 |
Melting Point: | 187-188 °C |
Boiling Point: | 502.9 °C at 760 mmHg |
Flash Point: | 257.9 °C |
Appearance: | off-white solid |
PSA: | 96.25000 |
LogP: | 2.08090 |
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The CAS registry number of Propanamide,N-[(6S)-2-amino-4,5,6,7-tetrahydro-6-benzothiazolyl]- is 106006-84-2. The IUPAC name is N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]propanamide. In addition, the molecular formula is C10H15N3OS and the molecular weight is 225.31. What's more, it belongs to the classes of Intermidiate of Pramipexole; Chemical Amines; Chiral Reagents; Heterocycles; Pramipexole Dihydrochloride Monohydrate. It is used for the preparation of anti-Parkinson's disease drug Primaquine.
Physical properties about Propanamide,N-[(6S)-2-amino-4,5,6,7-tetrahydro-6-benzothiazolyl]- are: (1)ACD/LogP: 0.90; (2)ACD/LogD (pH 5.5): 0.15; (3)ACD/LogD (pH 7.4): 0.88; (4)#H bond acceptors: 4; (5)#H bond donors: 3; (6)#Freely Rotating Bonds: 2; (7)Polar Surface Area: 96.25 Å2; (8)Index of Refraction: 1.596; (9)Molar Refractivity: 60.41 cm3; (10)Molar Volume: 177.5 cm3; (11)Polarizability: 23.95 ×10-24cm3; (12)Surface Tension: 59.2 dyne/cm; (13)Density: 1.26 g/cm3; (14)Flash Point: 257.9 °C; (15)Enthalpy of Vaporization: 77.2 kJ/mol; (16)Boiling Point: 502.9 °C at 760 mmHg; (17)Vapour Pressure: 3.06E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCC(=O)N[C@H]1CCc2nc(N)sc2C1
(2)InChI: InChI=1/C10H15N3OS/c1-2-9(14)12-6-3-4-7-8(5-6)15-10(11)13-7/h6H,2-5H2,1H3,(H2,11,13)(H,12,14)/t6-/m0/s1
(3)InChIKey: VVPFOYOFGUBZRY-LURJTMIEBE