AG007HML

1032528-06-5 | 4-[(1-BOC-Amino)cyclobutyl]phenylboronic acid pinacol ester

AG007HML

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CAS Number	1032528-06-5
Catalog Number	AG007HML(AGN-PC-0CCLLQ)
Chemical Name	4-[(1-BOC-Amino)cyclobutyl]phenylboronic acid pinacol ester
IUPAC Name	tert-butyl N-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutyl]carbamate
InChI	InChI=1S/C21H32BNO4/c1-18(2,3)25-17(24)23-21(13-8-14-21)15-9-11-16(12-10-15)22-26-19(4,5)20(6,7)27-22/h9-12H,8,13-14H2,1-7H3,(H,23,24)
InChI Key	AYUCJBOQVMWQJD-UHFFFAOYSA-N
MDL Number	MFCD18762017
Molecular Formula	C21H32BNO4
Molecular Weight	373.2941
SMILES	O=C(OC(C)(C)C)NC1(C2=CC=C(B3OC(C)(C)C(C)(C)O3)C=C2)CCC1
Synonyms	1032528-06-5, tert-Butyl (1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclobutyl)carbamate, TERT-BUTYL 1-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)CYCLOBUTYLCARBAMATE, AK-88596, tert-Butyl (1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxabo-rolan-2-yl)phenyl)cyclobutyl)carbamate, tert-butyl {1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutyl}carbamate, tert-butyl(1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclobutyl)carbamate, tert-butyl{1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutyl}carbamate, AYUCJBOQVMWQJD-UHFFFAOYSA-N, SCHEMBL361565, CTK8B4629, KS-00000PUE, DTXSID70729099, ANW-45743, MFCD18762017, AKOS015998943, ZINC169746164, DS-1912, PB22959, AB0034489, AX8227448, DB-024603, TC-134488, 4CH-011587, FT-0701855, ST24025770, X8650, 4-[(1-BOC-Amino)cyclobutyl]phenylboronic acid pinacol ester, (4-(1-((TERT-BUTOXYCARBONYL)AMINO)CYCLOBUTYL)PHENYL)BORONIC ACID PINACOL ESTER, TERT-BUTYL N-{1-[4-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]CYCLOBUTYL}CARBAMATE, {1-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-cyclobutyl}-carbamic acid tert-butyl ester, {1-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-cyclobutyl}-carbamic acid tert.-butyl ester, {1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-phenyl]-cyclobutyl}-carbamic acid tert-butyl ester, {1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-cyclobutyl}carbamic acid tert-butyl ester, {1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutyl}carbamic acid tert-butyl ester, N-[1-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]CYCLOBUTYL]CARBAMIC ACID 1,1-DIMETHYLETHYL ESTER, tert-Butyl {1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-cyclobutyl}carbamate, tert-butyl N-{1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutyl}carbamate, C21H32BNO4, ACN-031453, Carbamic acid, N-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutyl]-, 1,1-dimethylethyl ester,

Complexity	541
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	373.242g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	373.3g/mol
Monoisotopic Mass	373.242g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	56.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number