AG00EB49

631911-01-8 | 4-Amino-2-methylphenylboronic acid, pinacol ester

AG00EB49

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CAS Number	631911-01-8
Catalog Number	AG00EB49(AGN-PC-01LR09)
Chemical Name	4-Amino-2-methylphenylboronic acid, pinacol ester
IUPAC Name	3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
InChI	InChI=1S/C13H20BNO2/c1-9-8-10(15)6-7-11(9)14-16-12(2,3)13(4,5)17-14/h6-8H,15H2,1-5H3
InChI Key	ZZMUAVWNSFFTLI-UHFFFAOYSA-N
MDL Number	MFCD08458198
Molecular Formula	C13H20BNO2
Molecular Weight	233.1144
SMILES	NC1=CC=C(B2OC(C)(C)C(C)(C)O2)C(C)=C1
Synonyms	631911-01-8, 3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline, 4-AMINO-2-METHYLPHENYLBORONIC ACID, PINACOL ESTER, 4-Amino-2-methylphenylboronic acid pinacol ester, SCHEMBL58186, DTXSID80590353, ZZMUAVWNSFFTLI-UHFFFAOYSA-N, BM553, ZXBA000424, MFCD08458198, AKOS015960141, ZINC169743559, FCH2717603, OR360649, AX8093715, A-3745, 4-Amino-2-methylphenylboronic acid,pinacol ester, 4-Amino-2-methylphenylboronic acid pinacol ester, AldrichCPR, 3-METHYL-4-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ANILINE, 3-methyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenylamine, 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenamine,

Complexity	277
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	233.159g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	233.118g/mol
Monoisotopic Mass	233.159g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	44.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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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