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4-[[(tert-Butoxy)carbonyl]amino]-3-thiophenecarboxylic acid

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Name

4-[[(tert-Butoxy)carbonyl]amino]-3-thiophenecarboxylic acid

EINECS N/A
CAS No. 108180-63-8 Density 1.348
PSA 103.87000 LogP 2.86630
Solubility N/A Melting Point N/A
Formula C10H13 N O4 S Boiling Point 334.205oC at 760 mmHg
Molecular Weight 243.28000 Flash Point 155.922°C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 108180-63-8 (4-TERT-BUTOXYCARBONYLAMINO-THIOPHENE-3-CARBOXYLIC ACID) Hazard Symbols N/A
Synonyms

4-TERT-BUTOXYCARBONYLAMINO-THIOPHENE-3-CARBOXYLIC ACID;4-[[(tert-Butoxy)carbonyl]amino]-3-thiophenecarboxylic acid;3-Thiophenecarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-

Article Data 5

4-[[(tert-Butoxy)carbonyl]amino]-3-thiophenecarboxylic acid Chemical Properties

Molecule structure of 4-[[(tert-Butoxy)carbonyl]amino]-3-thiophenecarboxylic acid (CAS NO.108180-63-8):

IUPAC Name: 4-[(2-Methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylic acid 
Molecular Weight: 243.27952 [g/mol]
Molecular Formula: C10H13NO4
Index of Refraction: 1.597
Molar Refractivity: 61.449 cm3
Molar Volume: 180.456 cm3
Surface Tension: 54.547 dyne/cm
Density: 1.348 g/cm3
Flash Point: 155.922 °C
Enthalpy of Vaporization: 60.918 kJ/mol
Boiling Point: 334.205 °C at 760 mmHg
XLogP3-AA: 2.2
H-Bond Donor: 2
H-Bond Acceptor: 4
Rotatable Bond Count: 4
Tautomer Count: 2
Exact Mass: 243.056529
MonoIsotopic Mass: 243.056529
Topological Polar Surface Area: 75.6
Heavy Atom Count: 16
Canonical SMILES: CC(C)(C)OC(=O)NC1=CSC=C1C(=O)O
InChI: InChI=1S/C10H13NO4S/c1-10(2,3)15-9(14)11-7-5-16-4-6(7)8(12)13/h4-5H,1-3H3,(H,11,14)(H,12,13)
InChIKey of 4-[[(tert-Butoxy)carbonyl]amino]-3-thiophenecarboxylic acid (CAS NO.108180-63-8): XYOGFDWFZFHNTL-UHFFFAOYSA-N

4-[[(tert-Butoxy)carbonyl]amino]-3-thiophenecarboxylic acid Specification

 4-[[(tert-Butoxy)carbonyl]amino]-3-thiophenecarboxylic acid (CAS NO.108180-63-8) is also named as 4-[(tert-Butoxycarbonyl)amino]thiophene-3-carboxylic acid .

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