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| CAS No.: | 77716-11-1 |
|---|---|
| Name: | 4-TERT-BUTOXYCARBONYLAMINO-1-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID |
| Article Data: | 12 |
| Molecular Structure: | |
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|
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| Formula: | C11H16N2O4 |
| Molecular Weight: | 240.259 |
| Synonyms: | 4-tert-Butoxycarbonylamino-1-methyl-1H-pyrrole-2-carboxylicacid; |
| Density: | 1.21 g/cm3 |
| Melting Point: | 156-160 °C (dec.) |
| Boiling Point: | 355 °C at 760 mmHg |
| Flash Point: | 168.5 °C |
| Hazard Symbols: |
 Xi
|
| Safety: | 24/25 |
| PSA: | 80.56000 |
| LogP: | 1.75320 |
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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