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2-(1,3-Benzodioxol-5-yl)hexahydro-1H-azepine

2-(1,3-Benzodioxol-5-yl)hexahydro-1H-azepine structure

CAS No:
383130-37-8
Formula:
C13H17NO2
Chemical Name:
2-(1,3-Benzodioxol-5-yl)hexahydro-1H-azepine
Synonyms:
1H-Azepine,2-(1,3-benzodioxol-5-yl)hexahydro-;2-(1,3-Benzodioxol-5-yl)hexahydro-1H-azepine

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2-(1,3-Benzodioxol-5-yl)hexahydro-1H-azepine Basic Attributes

Molecular Weight：

219.28000

Exact Mass：

219.28

DSSTox ID：

DTXSID00392134

Characteristics

PSA：

30.49000

XLogP3：

2.94880

Density：

1.121g/cm3

Boiling Point：

331.8ºC at 760mmHg

Flash Point：

134.3ºC

Refractive Index：

1.542

Computed Properties

Molecular Weight:219.28
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:219.125928785
Monoisotopic Mass:219.125928785
Topological Polar Surface Area:30.5
Heavy Atom Count:16
Complexity:234
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(1,3-Benzodioxol-5-yl)hexahydro-1H-azepine

Basic Attributes
Characteristics
Computed Properties

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