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3-deazaadenine

3-deazaadenine structure

3-deazaadenine 

structure
  • CAS No:

    6811-77-4

  • Formula:

    C6H6N4

  • Chemical Name:

    3-deazaadenine

  • Synonyms:

    3-deazaadenine;3-deazaadenine-6;1H-IMidazo[4,5-c]pyridin-...;3H-IMidazo[4,5-c]pyridin-4-aMine;1H-IMidazo(4,5-c)pyridin-4-aMine;4-Amino-1H-imidazo[4,5-c]pyridine

3-deazaadenine Basic Attributes

134.139

134.059250

DTXSID00218305

2933990090

Characteristics

67.59000

0.27

1.5±0.1 g/cm3

529.3±30.0 °C at 760 mmHg

307.3±11.8 °C

1.806

Safety Information

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

H302

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

3-deazaadenine

Computed Properties

Molecular Weight:134.14
XLogP3:0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:134.059246208
Monoisotopic Mass:134.059246208
Topological Polar Surface Area:67.6
Heavy Atom Count:10
Complexity:127
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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