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1-(3,4-Dihydroxyphenyl)-2-[(1-methylethyl)amino]ethanone

1-(3,4-Dihydroxyphenyl)-2-[(1-methylethyl)amino]ethanone structure

CAS No:
121-28-8
Formula:
C11H15NO3
Chemical Name:
1-(3,4-Dihydroxyphenyl)-2-[(1-methylethyl)amino]ethanone
Synonyms:
Ethanone,1-(3,4-dihydroxyphenyl)-2-[(1-methylethyl)amino]-;Acetophenone,3′,4′-dihydroxy-2-(isopropylamino)-;1-(3,4-Dihydroxyphenyl)-2-[(1-methylethyl)amino]ethanone;Aludrone;Isoproterenone;3,4-Dihydroxy-α-isopropylaminoacetophenone;S 35179;N-Isopropylnoradrenalone;NSC 163353;1-(3,4-Dihydroxyphenyl)-2-[(propan-2-yl)amino]ethan-1-one;1-(3,4-Dihydroxyphenyl)-2-(propan-2-ylamino)ethanone;3′,4′-Dihydroxy-2-(isopropylamino)-acetophenone
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1-(3,4-Dihydroxyphenyl)-2-[(1-methylethyl)amino]ethanone Basic Attributes

Molecular Weight：

209.2417

Exact Mass：

209.24

EC Number：

204-461-0

UNII：

299T6A9WRP

NSC Number：

163353

DSSTox ID：

DTXSID90153099

HScode：

2922509090

Characteristics

PSA：

69.6

XLogP3：

1.66940

Density：

1.185±0.06 g/cm3 (20 ºC 760 Torr)

Melting Point：

96 °C

Boiling Point：

409.7ºC at 760mmHg

Flash Point：

201.6ºC

Refractive Index：

1.564

Vapor Pressure：

2.69E-07mmHg at 25°C

1-(3,4-Dihydroxyphenyl)-2-[(1-methylethyl)amino]ethanone Use and Manufacturing

Methods of Manufacturing

Use catechol and chloroacetic acid to react under the action of phosphorus oxychloride (chloroacetylation) to generate 4-(chloroacetyl) catechol, and then aminate the product with isopropylamine.

Uses

Intermediate of isoproterenol (aspirin).

Computed Properties

Molecular Weight:209.24
XLogP3:1.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:209.10519334
Monoisotopic Mass:209.10519334
Topological Polar Surface Area:69.6
Heavy Atom Count:15
Complexity:218
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 1-(3,4-Dihydroxyphenyl)-2-[(1-methylethyl)amino]ethanone

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1-(3,4-dihydroxyphenyl)-2-[(1-methylethyl)amino]ethan-1-one CAS 121-28-8

CAS No.: 121-28-8

Grade: Pharmaceutical Grade

Content: 99%

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Guide of 1-(3,4-Dihydroxyphenyl)-2-[(1-methylethyl)amino]ethanone

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
Learn More Other Chemicals

1-(3,4-Dihydroxyphenyl)-2-[(1-methylethyl)amino]ethanone

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