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N-Boc-2-aminoindane-2-carboxylic acid

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Name

N-Boc-2-aminoindane-2-carboxylic acid

EINECS N/A
CAS No. 71066-00-7 Density 1.1311 (rough estimate)
PSA 75.63000 LogP 2.52420
Solubility N/A Melting Point N/A
Formula C15H19NO4 Boiling Point 456.6 °C at 760 mmHg
Molecular Weight 277.32 Flash Point 229.9 °C
Transport Information N/A Appearance white to beige crystals or powder
Safety 24/25 Risk Codes 50/53
Molecular Structure Molecular Structure of 71066-00-7 (N-Boc-2-aminoindane-2-carboxylic acid) Hazard Symbols N
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;

Article Data 6

N-Boc-2-aminoindane-2-carboxylic acid Specification

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

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