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

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Name

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

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

2-[(Dimethylamino)methyl]-4-thiazolylmethanol;2-[(Dimethylamino)methyl]-4-thiazolemethanol;

Article Data 13

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

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