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CAS No.: | 71066-00-7 |
---|---|
Name: | N-Boc-2-aminoindane-2-carboxylic acid |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C15H19NO4 |
Molecular Weight: | 277.32 |
Synonyms: | Boc-2-aminoindane-2-carboxylic acid;2-(tert-butoxycarbonylamino)-1,3-dihydroindene-2-carboxylate;2-[(tert-butoxycarbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylate;2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dihydroindene-2-carboxylate; |
Density: | 1.1311 (rough estimate) |
Boiling Point: | 456.6 °C at 760 mmHg |
Flash Point: | 229.9 °C |
Appearance: | white to beige crystals or powder |
Hazard Symbols: | N |
Risk Codes: | 50/53 |
Safety: | 24/25 |
PSA: | 75.63000 |
LogP: | 2.52420 |
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The N-Boc-2-aminoindane-2-carboxylic acid, with cas registry number of 71066-00-7, has the systematic name of 2-[(tert-butoxycarbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylate. It is a kind of white to beige crystals or powder, and the molecular formula of the chemical is C15H19NO4. What's more, while dealing with this chemical, you should avoid contacting with skin and eyes.
The characteristics of N-Boc-2-aminoindane-2-carboxylic acid are as followings: (1)ACD/LogP: 3.13; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 66.84 Å2; (7)Flash Point: 229.9 °C; (8)Enthalpy of Vaporization: 75.5 kJ/mol; (9)Boiling Point: 456.6 °C at 760 mmHg; (10)Vapour Pressure: 3.96E-09 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-]C(=O)C2(NC(=O)OC(C)(C)C)Cc1ccccc1C2
(2)InChI: InChI=1/C15H19NO4/c1-14(2,3)20-13(19)16-15(12(17)18)8-10-6-4-5-7-11(10)9-15/h4-7H,8-9H2,1-3H3,(H,16,19)(H,17,18)/p-1
(3)InChIKey: YOMACQVTIAGKNW-REWHXWOFAA