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2H-1-Benzopyran-2-one, 8-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-5-methyl-, hydrochloride (1:1)

2H-1-Benzopyran-2-one, 8-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-5-methyl-, hydrochloride (1:1) structure

CAS No:
36556-75-9
Formula:
C17H23NO4.ClH
Chemical Name:
2H-1-Benzopyran-2-one, 8-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-5-methyl-, hydrochloride (1:1)
Synonyms:
2H-1-Benzopyran-2-one,8-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-5-methyl-,hydrochloride (1:1);2H-1-Benzopyran-2-one,8-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-5-methyl-,hydrochloride,(±)-;2H-1-Benzopyran-2-one,8-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-5-methyl-,hydrochloride;DL-5-Methyl-8-(2-hydroxy-3-tert-butylaminopropoxy)coumarin hydrochloride;(±)-5-Methyl-8-(2-hydroxy-3-tert-butylaminopropoxy)coumarin hydrochloride;CS 359;dl-Bucumolol hydrochloride;8-(2-Hydroxy-3-tert-butylaminopropoxy)-5-methylcoumarin hydrochloride;Bucumarol;Bucumolol hydrochloride;30073-40-6
Categories:
Organic Chemistry > Amides

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Description

Bucumolol hydrochloride is a member of coumarins.

2H-1-Benzopyran-2-one, 8-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-5-methyl-, hydrochloride (1:1) Basic Attributes

Molecular Weight：

341.833

Exact Mass：

341.13900

Characteristics

PSA：

67.8

XLogP3：

3.42210

Melting Point：

226-228 °C

Boiling Point：

490.7ºC at 760mmHg

Flash Point：

250.6ºC

Toxicity：

Oral-rat LD50: 1259 mg/kg; Oral-Mouse LD50: 676 mg/kg

Flammability characteristics：

Thermal decomposition releases toxic nitrogen oxides and hydrogen chloride fumes

Safety Information

Storage features：

Warehouse ventilated, low temperature and dry

Toxicity

Toxicity class：

moderately toxic

Drug Information

MeSH Entry Terms：

5-methyl-8-(2-hydroxy-3-t-butylaminopropoxy)coumarin

Computed Properties

Molecular Weight:341.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:341.1393859
Monoisotopic Mass:341.1393859
Topological Polar Surface Area:67.8
Heavy Atom Count:23
Complexity:415
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

Latest News on 2H-1-Benzopyran-2-one, 8-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-5-methyl-, hydrochloride (1:1)

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Guide of 2H-1-Benzopyran-2-one, 8-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-5-methyl-, hydrochloride (1:1)

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Drug Information
Computed Properties
Latest News
Learn More Other Chemicals

2H-1-Benzopyran-2-one, 8-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-5-methyl-, hydrochloride (1:1)

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