AG003689

827614-68-6 | 4-(Cyclopropylaminocarbonyl)phenylboronic acid, pinacol ester

AG003689

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CAS Number	827614-68-6
Catalog Number	AG003689(AGN-PC-0KKM70)
Chemical Name	4-(Cyclopropylaminocarbonyl)phenylboronic acid, pinacol ester
IUPAC Name	N-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
InChI	InChI=1S/C16H22BNO3/c1-15(2)16(3,4)21-17(20-15)12-7-5-11(6-8-12)14(19)18-13-9-10-13/h5-8,13H,9-10H2,1-4H3,(H,18,19)
InChI Key	PXTNJXLWXIJJIM-UHFFFAOYSA-N
MDL Number	MFCD05663848
Molecular Formula	C16H22BNO3
Molecular Weight	287.1618
SMILES	C1(CC1)NC(C1=CC=C(C=C1)B1OC(C(O1)(C)C)(C)C)=O
Synonyms	827614-68-6, N-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide, N-(Cyclopropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide, 4-(cyclopropylaminocarbonyl)phenylboronic acid, pinacol ester, 4-(n-cyclopropylaminocarbonyl)phenylboronic acid, pinacol ester, 4-(Cyclopropylaminocarbonyl)phenylboronic acid pinacol ester, AC1MBX72, AMTB353, SCHEMBL103893, CTK8B7494, DTXSID10374128, PXTNJXLWXIJJIM-UHFFFAOYSA-N, ZXBA000191, KS-000022CT, ZX-RL002661, ANW-57476, MFCD05663848, AKOS015960084, ZINC169743870, AB21942, AM87221, AS-2475, RTR-025857, AK-84289, BC000546, OR303508, AX8091494, B-5485, A840434, 4-(cyclopropylcarbamoyl)phenyl boronic acid pinacol ester, 4-(Cyclopropylcarbamoyl)phenylboronic acid pinacol ester, 4-(cyclopropyl carbamoyl)phenyl boronic acid pinacol ester, 4-(n-cyclopropylaminocarbonyl)phenyl boronic acid, pinacol ester, 4-(N-cyclopropylaminocarbonyl)phenylboronic acid, pinacol ester AldrichCPR, 4-(N-cyclopropylaminocarbonyl)phenylboronic acid, pinacol ester, AldrichCPR, Benzamide, N-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl), N-cyclopropyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzamide, C16H22BNO3, CID2758016, 4- PHENYLBORONICACID,PINACOLESTER,

Complexity	396
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	287.169g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	287.166g/mol
Monoisotopic Mass	287.169g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	47.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P322-P330-P332+P313-P337+P313-P340-P362-P363-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

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