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4-[(tert-Butoxycarbonyl)amino]-1-methyl-1H-pyrrole-2-carboxylic acid

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Name

4-[(tert-Butoxycarbonyl)amino]-1-methyl-1H-pyrrole-2-carboxylic acid

EINECS N/A
CAS No. 77716-11-1 Density 1.21 g/cm3
PSA 80.56000 LogP 1.75320
Solubility N/A Melting Point 156-160 °C (dec.)
Formula C11H16N2O4 Boiling Point 355 °C at 760 mmHg
Molecular Weight 240.259 Flash Point 168.5 °C
Transport Information N/A Appearance N/A
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 77716-11-1 (4-TERT-BUTOXYCARBONYLAMINO-1-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID) Hazard Symbols IrritantXi
Synonyms

4-tert-Butoxycarbonylamino-1-methyl-1H-pyrrole-2-carboxylicacid;

Article Data 12

4-[(tert-Butoxycarbonyl)amino]-1-methyl-1H-pyrrole-2-carboxylic acid Specification

The 4-[(tert-Butoxycarbonyl)amino]-1-methyl-1H-pyrrole-2-carboxylic acid ,its cas register number is .It also can be called as 4-(Boc-amino)-1-methylpyrrole-2-carboxylic acid and the IUPAC name about this chemicals is 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic Acid .It belongs to the following product categories, such as  Others, Peptide Synthesis, Unnatural Amino Acid Derivatives and so on. If you want to store this chemical, the temperature must below -15°C .Also, WGK Germany is 3 and Hazard Note about it is Irritant.

Following are the chemical properties about 4-[(tert-Butoxycarbonyl)amino]-1-methyl-1H-pyrrole-2-carboxylic acid :(1)#H bond acceptors: 6 ; (2)#H bond donors: 2 ; (3)#Freely Rotating Bonds: 4 ; (4)Polar Surface Area: 60.77Å2 ; (5)Index of Refraction: 1.536 ; (6)Molar Refractivity: 61.43 cm3 ; (7)Molar Volume: 196.9 cm3 ; (8)Polarizability: 24.35x10-24cm3 ; (9)Surface Tension: 41.2 dyne/cm ; (10)Enthalpy of Vaporization: 63.32 kJ/mol ; (11)Vapour Pressure: 1.18E-05 mmHg at 25°C

This chemicals can be described computed from structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)NC1=CN(C(=C1)C(=O)O)C
(2)InChI: InChI=1S/C11H16N2O4/c1-11(2,3)17-10(16)12-7-5-8(9(14)15)13(4)6-7/h5-6H,1-4H3,(H,12,16)(H,14,15)
(3)InChIKey: GOLAEMFBWAIGRX-UHFFFAOYSA-N

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