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Nordoxepin

Nordoxepin structure

CAS No:
1225-56-5
Formula:
C18H19NO
Chemical Name:
Nordoxepin
Synonyms:
1-Propanamine,3-dibenz[b,e]oxepin-11(6H)-ylidene-N-methyl-;Dibenz[b,e]oxepin-Δ11(6H),γ-propylamine,N-methyl-;Dibenz[b,e]oxepin,1-propanamine deriv.;3-Dibenz[b,e]oxepin-11(6H)-ylidene-N-methyl-1-propanamine;Demethyldoxepin;Monodesmethyldoxepin;Desmethyl doxepin;Nordoxepin;N-Desmethyldoxepin;Desmethyldoxepine;Desdoxepin
Categories:
Analytical Chemistry > Standard

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Nordoxepin Basic Attributes

Molecular Weight：

265.35

Exact Mass：

265.35

EC Number：

200-659-6

DSSTox ID：

DTXSID9075406

HScode：

2932999099

Characteristics

PSA：

21.3

XLogP3：

4.01110

Density：

1.0629 (rough estimate)

Melting Point：

60-62 °C

Boiling Point：

158-165 °C @ Press: 0.01 Torr

Flash Point：

9℃

Refractive Index：

1.5100 (estimate)

Storage Conditions：

-20°C

Vapor Pressure：

2.74E-07mmHg at 25°C

Safety Information

Transport codes：

UN1230 - class 3 - PG 2 - Methanol, solution

wgk germany：

hazard class code：

11-23/24/25-39/23/24/25

safety instructions：

7-16-36/37-45

Marks：

F,T

Computed Properties

Molecular Weight:265.3
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:265.146664230
Monoisotopic Mass:265.146664230
Topological Polar Surface Area:21.3
Heavy Atom Count:20
Complexity:338
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes