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7-Diethylamino-3-[4-(iodoacetamido)phenyl]-4-methylcoumarin

7-Diethylamino-3-[4-(iodoacetamido)phenyl]-4-methylcoumarin structure

CAS No:
76877-34-4
Formula:
C22H23IN2O3
Chemical Name:
7-Diethylamino-3-[4-(iodoacetamido)phenyl]-4-methylcoumarin
Synonyms:
7-Diethylamino-3-[4-(iodoacetamido)phenyl]-4-methylcoumarin;N-(4-(7-diethylamino 4-methylcoumarin-3-yl)phenyl)iodoacetamide;DCIA [7-DiethylaMino-3-(4-(iodoacetaMido)phenyl)-4-MethylcouMarin];Acetamide, N-[4-[7-(diethylamino)-4-methyl-2-oxo-2H-1-benzopyran-3-yl]phenyl]-2-iodo-

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7-Diethylamino-3-[4-(iodoacetamido)phenyl]-4-methylcoumarin Basic Attributes

Molecular Weight：

490.33

Exact Mass：

490.07534 g/mol

DSSTox ID：

DTXSID90227683

HScode：

2932209090

Characteristics

PSA：

62.55000

XLogP3：

5.06110

Density：

1.531±0.06 g/cm3

Boiling Point：

658.2±55.0 °C(Predicted)

Flash Point：

351.9ºC

Refractive Index：

1.67

PKA：

12.44±0.70

Safety Information

Transport codes：

UN 2811 6.1 / PGIII

wgk germany：

hazard class code：

Marks：

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P273, P301+P310, P321, P330, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

7-(diethylamino)-3-(4-((iodoacetyl)amino)phenyl)-4-methylcoumarin

7-Diethylamino-3-[4-(iodoacetamido)phenyl]-4-methylcoumarin Use and Manufacturing

7-Diethylamino-3-[4-(iodoacetamido)phenyl]-4-methylcoumarin can be used for preparing maleimide and iodoacetamide derivatives of 3-phenylcoumarin fluorophore. These derivatives can be self-quenching until they react with thiol groups and regain their strong fluorescence.

Computed Properties

Molecular Weight:490.3
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:490.07534
Monoisotopic Mass:490.07534
Topological Polar Surface Area:58.6
Heavy Atom Count:28
Complexity:609
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: carbon monoxide formula; potassium sulfide chemical formula; d glucopyranose; formula for carbon tetrachloride; tetrasodium pyrophosphate; silver sulfide

Guide of 7-Diethylamino-3-[4-(iodoacetamido)phenyl]-4-methylcoumarin

Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties

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