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71066-00-7

Basic Information
CAS No.: 71066-00-7
Name: N-Boc-2-aminoindane-2-carboxylic acid
Article Data: 6
Molecular Structure:
Molecular Structure of 71066-00-7 (N-Boc-2-aminoindane-2-carboxylic acid)
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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  • N-Boc-2-aminoindane-2-carboxylic acid

  • Casno:

    71066-00-7

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

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    FOB Price:  USD $ 0.0-0.0

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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