AG003GC3

929568-19-4 | 2-Amino-1-Boc-imidazole

AG003GC3

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CAS Number	929568-19-4
Catalog Number	AG003GC3(AGN-PC-0BTYUN)
Chemical Name	2-Amino-1-Boc-imidazole
IUPAC Name	tert-butyl 2-aminoimidazole-1-carboxylate
InChI	InChI=1S/C8H13N3O2/c1-8(2,3)13-7(12)11-5-4-10-6(11)9/h4-5H,1-3H3,(H2,9,10)
InChI Key	BXKYKASMZAUFCZ-UHFFFAOYSA-N
MDL Number	MFCD20702858
Molecular Formula	C8H13N3O2
Molecular Weight	183.2077
SMILES	O=C(N1C=CN=C1N)OC(C)(C)C
Synonyms	2-Amino-1-Boc-imidazole, 929568-19-4, tert-Butyl 2-amino-1H-imidazole-1-carboxylate, 1H-Imidazole-1-carboxylic acid, 2-amino-, 1,1-dimethylethyl ester, 2-amino-1-tert-butoxycarbonylimidazole, SCHEMBL2698209, BXKYKASMZAUFCZ-UHFFFAOYSA-N, KS-00000A6W, 5412AJ, MFCD20702858, ZINC96025015, AKOS026744297, MCULE-8527728616, TRA0044647, AS-32668, SC-50229, SY026587, Z-3712, MFCD20702858 (97+%), TERT-BUTYL 2-AMINOIMIDAZOLE-1-CARBOXYLATE, 2-Methyl-2-propanyl 2-amino-1H-imidazole-1-carboxylate, Z1863617775, 1H-IMIDAZOLE-1-CARBOXYLIC ACID, 2-AMINO-, 1,1-DIME, C8H13N3O2,

Complexity	200
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	183.101g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	183.211g/mol
Monoisotopic Mass	183.101g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	70.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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