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Epiboxidine

Epiboxidine structure

CAS No:
188895-96-7
Formula:
C10H14N2O
Chemical Name:
Epiboxidine
Synonyms:
7-Azabicyclo[2.2.1]heptane,2-(3-methyl-5-isoxazolyl)-,(1R,2S,4S)-rel-;7-Azabicyclo[2.2.1]heptane,2-(3-methyl-5-isoxazolyl)-,exo-;rel-(1R,2S,4S)-2-(3-Methyl-5-isoxazolyl)-7-azabicyclo[2.2.1]heptane;Epiboxidine;(±)-Epiboxidine

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Epiboxidine Basic Attributes

Molecular Weight：

214.69

Exact Mass：

178.23

DSSTox ID：

DTXSID20172258

Characteristics

PSA：

38.06000

XLogP3：

2.72170

Appearance：

yellow

Density：

1.13g/cm3

Melting Point：

200-205 °C (decomp)

Boiling Point：

313.1ºC at 760mmHg

Flash Point：

143.2ºC

Refractive Index：

1.53

Water Solubility：

H2O: 22 mg/mL

Storage Conditions：

−20°C

Vapor Pressure：

0.000507mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

22-24/25

RTECS Number：

CL5446415

Drug Information

MeSH Entry Terms：

epiboxidine

Computed Properties

Molecular Weight:178.23
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:178.110613074
Monoisotopic Mass:178.110613074
Topological Polar Surface Area:38.1
Heavy Atom Count:13
Complexity:209
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Epiboxidine

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties

Epiboxidine

SDS

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