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4-Benzothiazolecarboxylicacid, 2-amino-4,5,6,7-tetrahydro-, ethyl ester

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Name

4-Benzothiazolecarboxylicacid, 2-amino-4,5,6,7-tetrahydro-, ethyl ester

EINECS N/A
CAS No. 76263-11-1 Density 1.29 g/cm3
PSA 93.45000 LogP 2.28950
Solubility N/A Melting Point 173-174 °C
Formula C10H14N2O2S Boiling Point 381.014 °C at 760 mmHg
Molecular Weight 226.29536 Flash Point 184.231 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 76263-11-1 (ETHYL 2-AMINO-4,5,6,7-TETRAHYDRO-1,3-BENZOTHIAZOLE-4-CARBOXYLATE) Hazard Symbols IrritantXi
Synonyms

ETHYL 2-AMINO-4,5,6,7-TETRAHYDRO-1,3-BENZOTHIAZOLE-4-CARBOXYLATE;ETHYL 2-AMINO-4,5,6,7-TETRAHYDROBENZOTHIAZOLE-4-CARBOXYLATE;Ethyl 2-amino-4,5,6,7-tetrahydrobenzothiazole-4-;2-Amino-4,5,6,7-tetrahydro-benzothiazole-4-carboxylic acid ethyl ester;76263-11-1

Article Data 12

4-Benzothiazolecarboxylicacid, 2-amino-4,5,6,7-tetrahydro-, ethyl ester Specification

The 4-Benzothiazolecarboxylicacid, 2-amino-4,5,6,7-tetrahydro-, ethyl ester, with the CAS registry number 76263-11-1, is also known as 2-Amino-4,5,6,7-tetrahydro-benzothiazole-4-carboxylic acid ethyl ester. This chemical's molecular formula is C10H14N2O2S and molecular weight is 226.29536. What's more, both its IUPAC name and systematic name are the same which is called Ethyl 2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 4-Benzothiazolecarboxylicacid, 2-amino-4,5,6,7-tetrahydro-, ethyl ester are: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 8; (7)ACD/KOC (pH 5.5): 59; (8)ACD/KOC (pH 7.4): 160; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 93.45 Å2; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 59.334 cm3; (15)Molar Volume: 175.365 cm3; (16)Surface Tension: 58.338 dyne/cm; (17)Density: 1.29 g/cm3; (18)Flash Point: 184.231 °C; (19)Enthalpy of Vaporization: 62.924 kJ/mol; (20)Boiling Point: 381.014 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)C1CCCc2sc(N)nc12
(2) InChI: InChI=1/C10H14N2O2S/c1-2-14-9(13)6-4-3-5-7-8(6)12-10(11)15-7/h6H,2-5H2,1H3,(H2,11,12)
(3) InChIKey: NNEBHSVVRNIDMV-UHFFFAOYAH

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