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N-Boc-indoline-7-carboxylic acid

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Name

N-Boc-indoline-7-carboxylic acid

EINECS N/A
CAS No. 143262-20-8 Density 1.257 g/cm3
PSA 66.84000 LogP 2.74740
Solubility N/A Melting Point 182 °C (dec.)
Formula C14H17NO4 Boiling Point 401.2 °C at 760 mmHg
Molecular Weight 263.29 Flash Point 196.4 °C
Transport Information UN 3077 9/PG 3 Appearance N/A
Safety 36/37-61 Risk Codes 43-50
Molecular Structure Molecular Structure of 143262-20-8 (N-Boc-indoline-7-carboxylic acid) Hazard Symbols IrritantXi,DangerousN
Synonyms

1-(Tert-butoxycarbonyl)indoline-7-carboxylic acid;2,3-Dihydroindole-1,7-dicarboxylic acid 1-tert-butyl ester;1-(tert-Butoxycarbonyl)-2,3-dihydro-1H-indole-7-carboxylic acid;1H-Indole-1,7-dicarboxylicacid, 2,3-dihydro-, 1-(1,1-dimethylethyl) ester;

Article Data 5

N-Boc-indoline-7-carboxylic acid Specification

The 1H-Indole-1,7-dicarboxylicacid, 2,3-dihydro-, 1-(1,1-dimethylethyl) ester with CAS registry number of 143262-20-8 is also known as N-Boc-indoline-7-carboxylic acid. The systematic name is 1-(tert-Butoxycarbonyl)-2,3-dihydro-1H-indole-7-carboxylic acid. In addition, the formula is C14H17NO4 and the molecular weight is 263.29.

Physical properties about 1H-Indole-1,7-dicarboxylicacid, 2,3-dihydro-, 1-(1,1-dimethylethyl) ester are: (1)ACD/LogP: 3.24; (2)ACD/LogD (pH 5.5): 1.58; (3)ACD/LogD (pH 7.4): 0.23; (4)ACD/BCF (pH 5.5): 3.77; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 30.47; (7)ACD/KOC (pH 7.4): 1.36; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.574; (12)Molar Refractivity: 69.12 cm3; (13)Molar Volume: 209.2 cm3; (14)Surface Tension: 51.7 dyne/cm; (15)Density: 1.257 g/cm3; (16)Flash Point: 196.4 °C; (17)Enthalpy of Vaporization: 68.77 kJ/mol; (18)Boiling Point: 401.2 °C at 760 mmHg; (19)Vapour Pressure: 3.72E-07 mmHg at 25 °C.

When you are using this chemical, please be cautious about it. As a chemical, it is very toxic to aquatic organisms and may cause sensitisation by skin contact. During using it, wear suitable protective clothing and gloves. Avoid release to the environment and refer to special instructions/safety data sheet.

You can still convert the following datas into molecular structure:
1. SMILES: OC(=O)c1cccc2CCN(c12)C(=O)OC(C)(C)C
2. InChI: InChI=1/C14H17NO4/c1-14(2,3)19-13(18)15-8-7-9-5-4-6-10(11(9)15)12(16)17/h4-6H,7-8H2,1-3H3,(H,16,17)
3. InChIKey: SUAMIYWLXFROHE-UHFFFAOYAS
4. Std. InChI: InChI=1S/C14H17NO4/c1-14(2,3)19-13(18)15-8-7-9-5-4-6-10(11(9)15)12(16)17/h4-6H,7-8H2,1-3H3,(H,16,17)
5. Std. InChIKey: SUAMIYWLXFROHE-UHFFFAOYSA-N

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