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2,6-Diamino-4-nitrotoluene

2,6-Diamino-4-nitrotoluene structure

CAS No:
59229-75-3
Formula:
C7H9N3O2
Chemical Name:
2,6-Diamino-4-nitrotoluene
Synonyms:
1,3-Benzenediamine,2-methyl-5-nitro-;2-Methyl-5-nitro-1,3-benzenediamine;2,6-Diamino-4-nitrotoluene

Description

ChEBI: A member of the class of amino-nitrotoluenes that is 2,6-diaminotoluene bearing a nitro substituent at position 4.

2,6-diamino-4-nitrotoluene is a member of the class of amino-nitrotoluenes that is 2,6-diaminotoluene bearing a nitro substituent at position 4. It has a role as a xenobiotic metabolite.

2,6-Diamino-4-nitrotoluene Basic Attributes

Molecular Weight：

167.17

Exact Mass：

167.17

EC Number：

261-669-4

DSSTox ID：

DTXSID20207973

HScode：

2921519090

Characteristics

PSA：

97.9

XLogP3：

2.75320

Density：

1.369g/cm3

Melting Point：

214-216 °C @ Solvent: Acetone, Water

Boiling Point：

432.5ºC at 760 mmHg

Flash Point：

215.4ºC

Refractive Index：

1.679

Drug Information

MeSH Entry Terms：

2,6-diamino-4-nitrotoluene

Computed Properties

Molecular Weight:167.17
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Exact Mass:167.069476538
Monoisotopic Mass:167.069476538
Topological Polar Surface Area:97.9
Heavy Atom Count:12
Complexity:168
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,6-Diamino-4-nitrotoluene

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties

2,6-Diamino-4-nitrotoluene

SDS

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