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

Name
N-Boc-2-aminoindane-2-carboxylic acid
EINECS
CAS No. 71066-00-7
Article Data6
CAS DataBase
Density 1.1311 (rough estimate)
Solubility
Melting Point
Formula C₁₅H₁₉NO₄
Boiling Point 456.6 °C at 760 mmHg
Molecular Weight 277.32
Flash Point 229.9 °C
Transport Information
Appearance white to beige crystals or powder
Safety 24/25
Risk Codes 50/53
Molecular Structure
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;
PSA 75.63000
LogP 2.52420

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

Product Name

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

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

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