5-Pyrimidinecarboxaldehyde, 2-(1,1-dimethylethyl)- (9CI)
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5-Pyrimidinecarboxaldehyde, 2-(1,1-dimethylethyl)- (9CI)
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CAS No:
104461-06-5
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Formula:
C9H12N2O
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Chemical Name:
5-Pyrimidinecarboxaldehyde, 2-(1,1-dimethylethyl)- (9CI)
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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
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CAS No:
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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5-Pyrimidinecarboxaldehyde, 2-(1,1-dimethylethyl)- (9CI)
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