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1,3-Benzodioxole-5-ethanamine, hydrochloride (1:1)

1,3-Benzodioxole-5-ethanamine, hydrochloride (1:1) structure

CAS No:
1653-64-1
Formula:
C9H11NO2.ClH
Chemical Name:
1,3-Benzodioxole-5-ethanamine, hydrochloride (1:1)
Synonyms:
1,3-Benzodioxole-5-ethanamine,hydrochloride (1:1);Phenethylamine,3,4-(methylenedioxy)-,hydrochloride;1,3-Benzodioxole-5-ethanamine,hydrochloride;3,4-Methylenedioxy-β-phenylethylamine hydrochloride;2-(3,4-Methylenedioxyphenyl)ethylamine hydrochloride;3,4-Methylenedioxyphenethylamine hydrochloride;3,4-(Methylenedioxy)phenylethylamine hydrochloride;2-(3,4-Methylenedioxyphenyl)ethylamine chlorohydrate;[2-(Benzodioxol-5-yl)ethyl]amine hydrochloride;933989-35-6
Categories:
Organic Chemistry > Amides

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1,3-Benzodioxole-5-ethanamine, hydrochloride (1:1) Basic Attributes

Molecular Weight：

201.65

Exact Mass：

201.05600

NSC Number：

28335

DSSTox ID：

DTXSID80167882

HScode：

2932999099

Characteristics

PSA：

44.5

XLogP3：

2.41880

Density：

1.225

Melting Point：

208-209 °C

Boiling Point：

166℃

Flash Point：

129.8ºC

Refractive Index：

1.562

Safety Information

Hazard category：

IRRITANT, IRRITANT-HARMFUL, MOISTURE SENSITIVE

Transport codes：

UN 2811 6.1/PG 2

wgk germany：

hazard class code：

26/27/28-36/37/38

safety instructions：

22-26-36/37/39-45-24/25

RTECS Number：

SH9710000

Marks：

T+,Xi

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

1,3-Benzodioxole-5-ethanamine, hydrochloride (1:1) Use and Manufacturing

1,3-Benzodioxole-5-ethanamine Hydrochloride is used in the synthesis of bifendate derivatives as anticancer agents through Pgp inhibition.

Computed Properties

Molecular Weight:201.65
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:201.0556563
Monoisotopic Mass:201.0556563
Topological Polar Surface Area:44.5
Heavy Atom Count:13
Complexity:152
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

Latest News on 1,3-Benzodioxole-5-ethanamine, hydrochloride (1:1)

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Guide of 1,3-Benzodioxole-5-ethanamine, hydrochloride (1:1)

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Latest News
Learn More Other Chemicals

1,3-Benzodioxole-5-ethanamine, hydrochloride (1:1)

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