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5-methyl-1H-imidazole-2-carbonitrile

5-methyl-1H-imidazole-2-carbonitrile structure

CAS No:
70631-95-7
Formula:
C5H5N3
Chemical Name:
5-methyl-1H-imidazole-2-carbonitrile
Synonyms:
4-Methyl-1H-imidazole-2-carbonitrile;70631-95-7;5-methyl-1H-imidazole-2-carbonitrile;Imidazole, 2-cyano-4-methyl-;1H-Imidazole-2-carbonitrile, 5-methyl-;SCHEMBL1971726;SCHEMBL12777839;DTXSID30341256;MFCD19218812;ZINC32132893;AKOS006354283;AKOS022965564;DS-5370;4-Methyl-1H-imidazole-2-carbonitrile #;AK127078;DB-123515;Z2678251399

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5-methyl-1H-imidazole-2-carbonitrile Basic Attributes

Molecular Weight：

107.11 g/mol

Exact Mass：

107.048347172 g/mol

DSSTox ID：

DTXSID30341256

Characteristics

PSA：

52.5 Å²

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:107.11
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:107.048347172
Monoisotopic Mass:107.048347172
Topological Polar Surface Area:52.5
Heavy Atom Count:8
Complexity:123
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-methyl-1H-imidazole-2-carbonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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