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3-THIOPHENECARBOXYLICACID,2-AMINO-4-[4-(1,1-DIMETHYLETHYL)PHENYL]-,ETHYLESTER

3-THIOPHENECARBOXYLICACID,2-AMINO-4-[4-(1,1-DIMETHYLETHYL)PHENYL]-,ETHYLESTER structure

CAS No:
307511-84-8
Formula:
C17H21NO2S
Chemical Name:
3-THIOPHENECARBOXYLICACID,2-AMINO-4-[4-(1,1-DIMETHYLETHYL)PHENYL]-,ETHYLESTER
Synonyms:
3-THIOPHENECARBOXYLIC ACID, 2-AMINO-4-[4-(1,1-DIMETHYLETHYL)PHENYL]-, ETHYL ESTER;ETHYL 2-AMINO-4-(4-TERT-BUTYLPHENYL)THIOPHENE-3-CARBOXYLATE;2-amino-4-(4-tert-butylphenyl)-3-thiophenecarboxylic acid ethyl ester;2-amino-4-(4-tert-butylphenyl)thiophene-3-carboxylic acid ethyl ester;IVK/9050623;Oprea1_323735;ZINC00137149;AKOS BBS-00000795

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3-THIOPHENECARBOXYLICACID,2-AMINO-4-[4-(1,1-DIMETHYLETHYL)PHENYL]-,ETHYLESTER Basic Attributes

Molecular Weight：

303.42

Exact Mass：

303.12930009 g/mol

HScode：

2934999090

Characteristics

PSA：

80.56000

XLogP3：

5.05270

Density：

1.134±0.06 g/cm3

Melting Point：

88-92℃

Boiling Point：

417.4±45.0 °C(Predicted)

PKA：

-0.05±0.14

Safety Information

Hazard category：

IRRITANT

Marks：

Computed Properties

Molecular Weight:303.4
XLogP3:5.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:303.12930009
Monoisotopic Mass:303.12930009
Topological Polar Surface Area:80.6
Heavy Atom Count:21
Complexity:358
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-THIOPHENECARBOXYLICACID,2-AMINO-4-[4-(1,1-DIMETHYLETHYL)PHENYL]-,ETHYLESTER

Basic Attributes
Characteristics
Safety Information
Computed Properties

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