AG005PXP

71759-92-7 | 5-Ethynyl-1-methyl-1h-imidazole

AG005PXP

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CAS Number	71759-92-7
Catalog Number	AG005PXP(AGN-PC-0KSLPY)
Chemical Name	5-Ethynyl-1-methyl-1h-imidazole
IUPAC Name	5-ethynyl-1-methylimidazole
InChI	InChI=1S/C6H6N2/c1-3-6-4-7-5-8(6)2/h1,4-5H,2H3
InChI Key	JFOSWQQRTHDTGG-UHFFFAOYSA-N
MDL Number	MFCD04974089
Molecular Formula	C6H6N2
Molecular Weight	106.1252
SMILES	CN1C=NC=C1C#C
Synonyms	5-Ethynyl-1-methyl-1H-imidazole, 71759-92-7, 5-ethynyl-1-methylimidazole, 1H-Imidazole,5-ethynyl-1-methyl-, MFCD04974089, AC1MNTA1, SCHEMBL378803, Ethynyl-1-methyl-1H-imidazole, CTK5D4999, DTXSID90391550, 1-Methyl-5-ethynyl-1H-imidazole, 1H-Imidazole-5-ethynyl-1-methyl, JFOSWQQRTHDTGG-UHFFFAOYSA-N, 5-ethynyl-1-methyl-1-H-imidazole, ACN-C001074, ZINC6553981, 1H-Imidazole, 5-ethynyl-1-methyl-, ANW-71919, AKOS015916325, RP00447, VI10239, 5-Ethynyl-1-methyl-1H-imidazole, 97%, AJ-56360, SC-21941, AB1003753, TC-160664, Y9902, J-517480, I14-51095, null, 5-ethynyl-1-methyl-imidazole, C6H6N2, CID3333106,

Complexity	122
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	106.053g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	106.128g/mol
Monoisotopic Mass	106.053g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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