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1-Methyl-1H-imidazole-4-acetaldehyde

1-Methyl-1H-imidazole-4-acetaldehyde structure

CAS No:
19639-03-3
Formula:
C6H8N2O
Chemical Name:
1-Methyl-1H-imidazole-4-acetaldehyde
Synonyms:
1H-Imidazole-4-acetaldehyde,1-methyl-;Imidazole-4-acetaldehyde,1-methyl-;1-Methyl-1H-imidazole-4-acetaldehyde;2-(1-Methyl-1H-imidazol-4-yl)acetaldehyde

Description

Solid

1-methylimidazole-4-acetaldehyde is an alpha-CH2-containing aldehyde and an imidazolylacetaldehyde. It has a role as a human metabolite and a mouse metabolite.

1-Methyl-1H-imidazole-4-acetaldehyde Basic Attributes

Molecular Weight：

124.14100

Exact Mass：

124.14

DSSTox ID：

DTXSID00173309

Characteristics

PSA：

34.89000

XLogP3：

0.16150

Density：

1.1g/cm3

Boiling Point：

311ºC

Flash Point：

141.9ºC

Refractive Index：

1.541

Vapor Pressure：

0.000581mmHg at 25°C

Drug Information

MeSH Entry Terms：

1-methylimidazol-3-ylacetaldehyde

Computed Properties

Molecular Weight:124.14
XLogP3:-0.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:124.063662883
Monoisotopic Mass:124.063662883
Topological Polar Surface Area:34.9
Heavy Atom Count:9
Complexity:105
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-Methyl-1H-imidazole-4-acetaldehyde

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties

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