AG000NAK

1251732-64-5 | 4-(N-BOC-Amino)cyclohex-1-enyl-1-boronic acid pinacol ester

AG000NAK

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CAS Number	1251732-64-5
Catalog Number	AG000NAK(AGN-PC-0H0YNO)
Chemical Name	4-(N-BOC-Amino)cyclohex-1-enyl-1-boronic acid pinacol ester
IUPAC Name	tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]carbamate
InChI	InChI=1S/C17H30BNO4/c1-15(2,3)21-14(20)19-13-10-8-12(9-11-13)18-22-16(4,5)17(6,7)23-18/h8,13H,9-11H2,1-7H3,(H,19,20)
InChI Key	BQDDQHLYCAQNMX-UHFFFAOYSA-N
MDL Number	MFCD12032216
Molecular Formula	C17H30BNO4
Molecular Weight	323.2354
SMILES	CC1(OB(OC1(C)C)C1=CCC(CC1)NC(OC(C)(C)C)=O)C
Synonyms	1251732-64-5, tert-Butyl (4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl)carbamate, TERT-BUTYL 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)CYCLOHEX-3-ENYLCARBAMATE, AK-84113, tert-Butyl N-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]carbamate, tert-Butyl [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]carbamate, Carbamic acid, N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-cyclohexen-1-yl]-, 1,1-dimethylethyl ester, TERT-BUTYL N-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)CYCLOHEX-3-EN-1-YL]CARBAMATE, BQDDQHLYCAQNMX-UHFFFAOYSA-N, SCHEMBL2565541, CTK8B4858, KS-00000PRE, DTXSID80735308, ANW-46541, MFCD12032216, AKOS015998706, AB65308, AM85086, CS-W006133, FCH2844690, MP-1090, DS-17384, SC-52761, SY107670, AB0035309, DB-023675, TC-135286, 4CH-011479, FT-0728035, ST24025806, X9617, MFCD12032216 (95%), 4-(Boc-amino)-1-cyclohexene-1-boronic Acid Pinacol Ester, 4-(N-BOC-Amino)cyclohex-1-enyl-1-boronic acid pinacol ester, (4-((TERT-BUTOXYCARBONYL)AMINO)CYCLOHEX-1-EN-1-YL)BORONIC ACID PINACOL ESTER, C17H30BNO4, ACN-046463, tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborol, 4-BOC-AMINO-CYCLOHEX-1-ENYL-BORONIC ACID PINACOL ESTER, N/A, tert-Butyl (4-(4,4,5,5-tetramethyl-1,3,2-dioxa-borolan-2-yl)cyclohex-3-en-1-yl)carbamate,

Complexity	477
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	323.227g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	323.24g/mol
Monoisotopic Mass	323.227g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	56.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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