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2-AMino-4-[(4-fluorobenzyl)aMino]-1-nitrobenzene(RETIGABINE inteMediate)

2-AMino-4-[(4-fluorobenzyl)aMino]-1-nitrobenzene(RETIGABINE inteMediate) structure

CAS No:
1263404-74-5
Formula:
C13H12FN3O2
Chemical Name:
2-AMino-4-[(4-fluorobenzyl)aMino]-1-nitrobenzene(RETIGABINE inteMediate)
Synonyms:
N1-(4-Fluorobenzyl)-4-nitrobenzene-1,3-diamine;2-Amino-4-[(4-fluorobenzyl)amino]-1-nitrobenzene;1-N-[(4-fluorophenyl)methyl]-4-nitrobenzene-1,3-diamine;SCHEMBL1226181;DTXSID90602350;5219AA;ZINC59078342;AKOS016010649;LS40779;AC-25480

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Description

Yellow Solid

2-AMino-4-[(4-fluorobenzyl)aMino]-1-nitrobenzene(RETIGABINE inteMediate) Basic Attributes

Molecular Weight：

261.2516832

Exact Mass：

261.091

EC Number：

2017-001-1

DSSTox ID：

DTXSID90602350

Characteristics

PSA：

83.9

XLogP3：

3.2

Density：

1.390±0.06 g/cm3(Predicted)

Boiling Point：

464.9±45.0 °C(Predicted)

2-AMino-4-[(4-fluorobenzyl)aMino]-1-nitrobenzene(RETIGABINE inteMediate) Use and Manufacturing

2-Amino-4-[(4-fluorobenzyl)amino]-1-nitrobenzene is an intermediate in the synthesis of Retigabine (R189050), a new experimental anticonvulsant drug. Anxiolytic.

Computed Properties

Molecular Weight:261.25
XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:261.09135480
Monoisotopic Mass:261.09135480
Topological Polar Surface Area:83.9
Heavy Atom Count:19
Complexity:303
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-AMino-4-[(4-fluorobenzyl)aMino]-1-nitrobenzene(RETIGABINE inteMediate)

Description
Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

2-AMino-4-[(4-fluorobenzyl)aMino]-1-nitrobenzene(RETIGABINE inteMediate)

SDS

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