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Home > Encyclopedia > 5-Pyrimidinecarboxaldehyde, 2-(1,1-dimethylethyl)- (9CI)

5-Pyrimidinecarboxaldehyde, 2-(1,1-dimethylethyl)- (9CI)

5-Pyrimidinecarboxaldehyde, 2-(1,1-dimethylethyl)- (9CI) structure

5-Pyrimidinecarboxaldehyde, 2-(1,1-dimethylethyl)- (9CI) 

structure
  • CAS No:

    104461-06-5

  • Formula:

    C9H12N2O

  • Chemical Name:

    5-Pyrimidinecarboxaldehyde, 2-(1,1-dimethylethyl)- (9CI)

  • Synonyms:

    2-tert-butylpyrimidine-5-carbaldehyde;2-(tert-butyl)pyrimidine-5-carbaldehyde;5-Pyrimidinecarboxaldehyde, 2-(1,1-dimethylethyl)- (9CI);SCHEMBL7439427;CTK8G4878;DTXSID60458644;5122AH;ZINC19091364;AKOS000284200;AB53778

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

5-Pyrimidinecarboxaldehyde, 2-(1,1-dimethylethyl)- (9CI) Basic Attributes

164.20438

164.09500

DTXSID60458644

Characteristics

42.8

1.58660

1.064±0.06 g/cm3(Predicted)

245.7±13.0 °C(Predicted)

105.8ºC

1.529

0.0283mmHg at 25°C

Safety Information

|Warning|H302 (50%): 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|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:164.20
XLogP3:1.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:164.094963011
Monoisotopic Mass:164.094963011
Topological Polar Surface Area:42.8
Heavy Atom Count:12
Complexity:154
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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