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| CAS No.: | 78441-69-7 |
|---|---|
| Name: | 2-(DIMETHYLAMINOMETHYL)-4-THIAZOLEMETHANOL |
| Molecular Structure: | |
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| Formula: | C7H12N2OS |
| Molecular Weight: | 172.251 |
| Synonyms: | 2-[(Dimethylamino)methyl]-4-thiazolylmethanol;2-[(Dimethylamino)methyl]-4-thiazolemethanol; |
| EINECS: | 809-745-3 |
| Density: | 1.209 g/cm3 |
| Boiling Point: | 273.114 °C at 760 mmHg |
| Flash Point: | 118.976 °C |
| Hazard Symbols: | N |
| Risk Codes: | 51/53 |
| Safety: | 61 |
| PSA: | 64.60000 |
| LogP: | 0.69700 |
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Specification
The 4-Thiazolemethanol,2-[(dimethylamino)methyl]-, with the CAS registry number 78441-69-7, is also known as 2-(Dimethylaminomethyl)-4-thiazolemethanol. It belongs to the product category of Alkohols. This chemical's molecular formula is C7H12N2OS and molecular weight is 172.25. What's more, both its IUPAC name and systematic name are the same which is called [2-[(Dimethylamino)methyl]-1,3-thiazol-4-yl]methanol.
Physical properties about 4-Thiazolemethanol,2-[(dimethylamino)methyl]- are: (1)ACD/LogP: -0.096; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.77; (4)ACD/LogD (pH 7.4): -0.30; (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): 13.14; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 64.6 Å2; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 47.083 cm3; (15)Molar Volume: 142.53 cm3; (16)Polarizability: 18.665×10-24cm3; (17)Surface Tension: 50.626 dyne/cm; (18)Density: 1.209 g/cm3; (19)Flash Point: 118.976 °C; (20)Enthalpy of Vaporization: 54.025 kJ/mol; (21)Boiling Point: 273.114 °C at 760 mmHg; (22)Vapour Pressure: 0.0030 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: n1c(csc1CN(C)C)CO
(2) InChI: InChI=1S/C7H12N2OS/c1-9(2)3-7-8-6(4-10)5-11-7/h5,10H,3-4H2,1-2H3
(3) InChIKey: BIEFSXASVIQOOS-UHFFFAOYSA-N