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1H-Imidazole-4-carboxaldehyde,5-(1,1-dimethylethyl)-(9CI)

1H-Imidazole-4-carboxaldehyde,5-(1,1-dimethylethyl)-(9CI) structure

CAS No:
714273-83-3
Formula:
C8H12N2O
Chemical Name:
1H-Imidazole-4-carboxaldehyde,5-(1,1-dimethylethyl)-(9CI)
Synonyms:
1H-Imidazole-4-carboxaldehyde, 5-(1,1-dimethylethyl)- (9CI);4-tert-butyl-1H-iMidazole-5-carbaldehyde;1H-IMidazole-4-carboxaldehyde, 5-(1,1-diMethylethyl)-;5-(1,1-Dimethylethyl)-1H-imidazole-4-carboxaldehyde;1H-Imidazole-5-carboxaldehyde, 4-(1,1-dimethylethyl)-;1H-Imidazole-4-carbaldehyde,5-(1,1-dimethylethyl)-;EOS-62086;5-(tert-Butyl)imidazole-4-carbaldehyde
Categories:
Active Pharmaceutical Ingredients > Other Chemical Drugs

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1H-Imidazole-4-carboxaldehyde,5-(1,1-dimethylethyl)-(9CI) Basic Attributes

Molecular Weight：

152.19

Exact Mass：

152.094963011

EC Number：

202-303-5

UNII：

G5SL9KJW4A

HScode：

2933290090

Characteristics

PSA：

45.75000

XLogP3：

1.51970

Density：

1.092±0.06 g/cm3

Boiling Point：

338.9±30.0 °C(Predicted)

Flash Point：

162.978ºC

PKA：

11.53±0.10

Safety Information

GHS Classification：

|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.

Computed Properties

Molecular Weight:152.19
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:152.094963011
Monoisotopic Mass:152.094963011
Topological Polar Surface Area:45.8
Heavy Atom Count:11
Complexity:151
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1H-Imidazole-4-carboxaldehyde,5-(1,1-dimethylethyl)-(9CI)

Basic Attributes
Characteristics
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Computed Properties
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