AG009O11

108290-85-3 | ETHYL 2-AMINO-5-METHYL-1H-PYRROLE-3-CARBOXYLATE

AG009O11

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CAS Number	108290-85-3
Catalog Number	AG009O11(AGN-PC-000LJC)
Chemical Name	ETHYL 2-AMINO-5-METHYL-1H-PYRROLE-3-CARBOXYLATE
IUPAC Name	ethyl 2-amino-5-methyl-1H-pyrrole-3-carboxylate
InChI	InChI=1S/C8H12N2O2/c1-3-12-8(11)6-4-5(2)10-7(6)9/h4,10H,3,9H2,1-2H3
InChI Key	CUBCXZWPAGUJPA-UHFFFAOYSA-N
MDL Number	MFCD09953574
Molecular Formula	C8H12N2O2
Molecular Weight	168.1931
SMILES	CCOC(C1=C(N)NC(C)=C1)=O
Synonyms	ethyl 2-amino-5-methyl-1H-pyrrole-3-carboxylate, 108290-85-3, 2-amino-5-methyl-1H-pyrrole-3-carboxylic acid ethyl ester, 1H-Pyrrole-3-carboxylic acid, 2-amino-5-methyl-, ethyl ester, SCHEMBL3692361, CTK8G5374, DTXSID80556510, CUBCXZWPAGUJPA-UHFFFAOYSA-N, KS-000008DN, FCH878670, MFCD09953574, ZINC33426588, AKOS006312261, PB22359, AJ-86078, AK126371, AS-34915, SC-69120, AX8242470, CS-0049509, FT-0713301, C-8336, A801837, ethyl 2-azanyl-5-methyl-1H-pyrrole-3-carboxylate,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.09g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	168.196g/mol
Monoisotopic Mass	168.09g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	68.1A^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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