-
Name
N-methylbenzothiazol-2-amine
- EINECS 241-025-9
- CAS No. 16954-69-1
- Article Data46
- CAS DataBase
- Density 1.306 g/cm3
- Solubility
- Melting Point 140-142ºC
- Formula C8H8N2S
- Boiling Point 270.1 °C at 760 mmHg
- Molecular Weight 164.231
- Flash Point 117.2 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Benzothiazole,2-(methylamino)- (7CI,8CI);2-(Methylamino)benzothiazole;2-(N-Methylamino)benzothiazole;Benzothiazol-2-ylmethylamine;N-(2-Benzothiazolyl)methylamine;
- PSA 53.16000
- LogP 2.41100
2-Benzothiazolamine,N-methyl- Specification
The 2-Benzothiazolamine,N-methyl-, with CAS registry number 16954-69-1, belongs to the following product categories: (1)Benzothiazole; (2)Thiazoles. It has the systematic name of N-methyl-1,3-benzothiazol-2-amine. Besides this, it is also called N-Methylbenzothiazol-2-amine. And the chemical formula of this chemical is C8H8N2S.
Physical properties of 2-Benzothiazolamine,N-methyl-: (1)ACD/LogP: 2.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.12; (4)ACD/LogD (pH 7.4): 2.23; (5)ACD/BCF (pH 5.5): 22.93; (6)ACD/BCF (pH 7.4): 28.91; (7)ACD/KOC (pH 5.5): 306.47; (8)ACD/KOC (pH 7.4): 386.42; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 44.37 Å2; (13)Index of Refraction: 1.73; (14)Molar Refractivity: 50.18 cm3; (15)Molar Volume: 125.7 cm3; (16)Polarizability: 19.89×10-24cm3; (17)Surface Tension: 58.2 dyne/cm; (18)Density: 1.306 g/cm3; (19)Flash Point: 117.2 °C; (20)Enthalpy of Vaporization: 50.83 kJ/mol; (21)Boiling Point: 270.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00697 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n1c2ccccc2sc1NC
(2)InChI: InChI=1/C8H8N2S/c1-9-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H,9,10)
(3)InChIKey: QVKPPRYUGJFISN-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C8H8N2S/c1-9-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H,9,10)
(5)Std. InChIKey: QVKPPRYUGJFISN-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 470ug/kg (0.47mg/kg) | Japanese Journal of Toxicology. Vol. 2, Pg. 225, 1989. | |
| mouse | LD50 | oral | 5800ug/kg (5.8mg/kg) | Japanese Journal of Toxicology. Vol. 2, Pg. 225, 1989. | |
| mouse | LD50 | subcutaneous | 1190ug/kg (1.19mg/kg) | Japanese Journal of Toxicology. Vol. 2, Pg. 225, 1989. |
Related Products
- 2-Benzothiazolamine
- 2-Benzothiazolamine, 6-methoxy-, sulfate (1:1)
- 2-Benzothiazolamine,5,6-diethoxy-
- 2-Benzothiazolamine,5,6-difluoro-
- 2-Benzothiazolamine,6-chloro-N,N-dimethyl-
- 2-Benzothiazolamine,6-chloro-N-methyl-
- 2-Benzothiazolamine,6-propoxy-
- 2-Benzothiazolamine,N-(2-methylpropyl)-
- 2-Benzothiazolamine,N-(4-fluorophenyl)-
- 2-Benzothiazolamine,N-methyl-
- 16954-74-8
- 169555-93-5
- 169555-95-7
- 16957-70-3
- 1695-77-8
- 16958-85-3
- 16958-88-6
- 16958-92-2
- 169590-41-4
- 169590-42-5
Hot Products
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View