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Bamethan

Bamethan structure

CAS No:
3703-79-5
Formula:
C12H19NO2
Chemical Name:
Bamethan
Synonyms:
Benzenemethanol,α-[(butylamino)methyl]-4-hydroxy-;Benzyl alcohol,α-[(butylamino)methyl]-p-hydroxy-;α-[(Butylamino)methyl]-4-hydroxybenzenemethanol;N-Butylnorsynephrine;Bamethan;Butedrine;N-Butyloctopamine;Butylsympatol;Butylnorsynephrine;Bametan;1-(4-Hydroxyphenyl)-2-(butylamino)ethanol;1-(4-Hydroxyphenyl)-2-(N-butylamino)ethanol;Bamethane;2-Butylamino-1-(p-hydroxyphenyl)ethanol;dl-Bamethane;DL-Bamethane;(±)-Bamethane;Racemic bamethane;111670-61-2;94-27-9
Categories:
Organic Chemistry > Amides

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Bamethan Basic Attributes

Molecular Weight：

209.28476

Exact Mass：

209.28

EC Number：

223-043-9

DSSTox ID：

DTXSID5046144

ATC Code：

C - Cardiovascular system

Characteristics

PSA：

52.5

XLogP3：

0.6

Density：

1.0423 (rough estimate)

Melting Point：

124 °C

Boiling Point：

375.2ºC at 760mmHg

Flash Point：

141.2ºC

Refractive Index：

1.545

Toxicity：

Oral-mouse LD50: 562 mg/kg; intravenous-rat LD50: 80 mg/kg

Flammability characteristics：

Thermal decomposition to emit toxic nitrogen oxide fumes

Safety Information

Storage features：

Warehouse ventilated, low temperature and dry

Toxicity

Toxicity class：

moderately toxic

Drug Information

MeSH：

Drugs used to cause dilation of the blood vessels. (See all compounds classified as Vasodilator Agents.)

MeSH Entry Terms：

bametan

Bamethan Use and Manufacturing

Uses

Vasodilator.

Use Classification：

Pharmaceuticals

Computed Properties

Molecular Weight:209.28
XLogP3:0.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:209.141578849
Monoisotopic Mass:209.141578849
Topological Polar Surface Area:52.5
Heavy Atom Count:15
Complexity:156
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes