-
Name
2-Amino-4,5,6,7,8-pentahydrothiazolo[5,4-d]azepine
- EINECS
- CAS No. 86029-68-7
- Article Data2
- CAS DataBase
- Density 1.253 g/cm3
- Solubility
- Melting Point 154-159°C
- Formula C7H11N3S
- Boiling Point 369.4 °C at 760 mmHg
- Molecular Weight 169.25
- Flash Point 177.2 °C
- Transport Information
- Appearance Yellow solid
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 4H-Thiazolo[4,5-d]azepin-2-amine,5,6,7,8- tetrahydro-;5,6,7,8-Tetrahydro-4H-[1,3]thiazolo[4,5-d]azepin-2-amine;
- PSA 79.18000
- LogP 1.32350
2-Amino-4,5,6,7,8-pentahydrothiazolo[5,4-d]azepine Specification
The 2-Amino-4,5,6,7,8-pentahydrothiazolo[5,4-d]azepine with CAS registry number of 86029-68-7 is also known as 4H-Thiazolo[4,5-d]azepin-2-amine,5,6,7,8- tetrahydro-. The systematic name is 5,6,7,8-Tetrahydro-4H-[1,3]thiazolo[4,5-d]azepin-2-amine. It belongs to product categories of Chemical Amines; Amines; Heterocycles; Sulfur & Selenium Compounds. In addition, the formula is C7H11N3S and the molecular weight is 169.25. What's more, this chemical is a yellow solid and it is used as a talipexole (B371000) metabolite.
Physical properties about 2-Amino-4,5,6,7,8-pentahydrothiazolo[5,4-d]azepine are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 3; (6)#H bond donors: 3; (7)Index of Refraction: 1.614; (8)Molar Refractivity: 47.09 cm3; (9)Molar Volume: 135 cm3; (10)Surface Tension: 56 dyne/cm; (11)Density: 1.253 g/cm3; (12)Flash Point: 177.2 °C; (13)Enthalpy of Vaporization: 61.62 kJ/mol; (14)Boiling Point: 369.4 °C at 760 mmHg; (15)Vapour Pressure: 1.19E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: Nc1nc2CCNCCc2s1
2. InChI: InChI=1/C7H11N3S/c8-7-10-5-1-3-9-4-2-6(5)11-7/h9H,1-4H2,(H2,8,10)
3. InChIKey: HJMYDEARHJTQRX-UHFFFAOYAK
4. Std. InChI: InChI=1S/C7H11N3S/c8-7-10-5-1-3-9-4-2-6(5)11-7/h9H,1-4H2,(H2,8,10)
5. Std. InChIKey: HJMYDEARHJTQRX-UHFFFAOYSA-N
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