AG00D86T

486414-86-2 | (1-Methyl-1H-imidazol-5-yl)methylamine

AG00D86T

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CAS Number	486414-86-2
Catalog Number	AG00D86T(AGN-PC-0KL7IQ)
Chemical Name	(1-Methyl-1H-imidazol-5-yl)methylamine
IUPAC Name	(3-methylimidazol-4-yl)methanamine
InChI	InChI=1S/C5H9N3/c1-8-4-7-3-5(8)2-6/h3-4H,2,6H2,1H3
InChI Key	PYAQTQXFMQWCHQ-UHFFFAOYSA-N
MDL Number	MFCD06200858
Molecular Formula	C5H9N3
Molecular Weight	111.1451
SMILES	C(N)c1n(C)cnc1
Synonyms	486414-86-2, (1-Methyl-1h-Imidazol-5-Yl)Methylamine, 1-Methyl-5-aminomethylimidazole, (1-methyl-1H-imidazol-5-yl)methanamine, 1H-Imidazole-5-methanamine, 1-methyl-, (3-methylimidazol-4-yl)methanamine, AC1MDTC6, SCHEMBL240920, CTK1D5601, DTXSID00383663, PYAQTQXFMQWCHQ-UHFFFAOYSA-N, KS-000003OQ, ZINC4262677, ANW-59409, MFCD06200858, AKOS006335674, AC-7137, AN-3904, PB24886, PS-3715, RP00534, TRA0048019, AJ-49928, AM803945, SC-27385, SY004189, AB0057815, AB1000051, RT-006354, 1-(1-methyl-1H-imidazole-5-yl)methanamine, CS-0053654, FT-0742893, Y9200, MFCD06200858 (97%), Q-1874, (1-methyl-1H-imidazol-5-yl)methylamine, AldrichCPR, C-(3-METHYL-3H-IMIDAZOL-4-YL)-METHYLAMINE, I11-0540, J-500210, null, METHYLAMINE, C5H9N3, CID2795424, A7343,

Complexity	74.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	111.08g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	111.148g/mol
Monoisotopic Mass	111.08g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	43.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8(6.1)
Hazard statements	H301-H315-H318-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P310-P305+P351+P338
UN Code	UN 2922

Certificate of Analysis

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