4-Thiazolemethanol,2-[(dimethylamino)methyl]- supplier

Name
2-(DIMETHYLAMINOMETHYL)-4-THIAZOLEMETHANOL
EINECS 809-745-3
CAS No. 78441-69-7
Article Data13
CAS DataBase
Density 1.209 g/cm³
Solubility
Melting Point
Formula C₇H₁₂N₂OS
Boiling Point 273.114 °C at 760 mmHg
Molecular Weight 172.251
Flash Point 118.976 °C
Transport Information
Appearance
Safety 61
Risk Codes 51/53
Molecular Structure
Hazard Symbols N
Synonyms 2-[(Dimethylamino)methyl]-4-thiazolylmethanol;2-[(Dimethylamino)methyl]-4-thiazolemethanol;
PSA 64.60000
LogP 0.69700

4-Thiazolemethanol,2-[(dimethylamino)methyl]- 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

Product Name

2-(DIMETHYLAMINOMETHYL)-4-THIAZOLEMETHANOL

4-Thiazolemethanol,2-[(dimethylamino)methyl]- Specification

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