AG001EPJ

147208-69-3 | (R)-1H-Pyrrolidine-2-boronic acid, pinanediol ester, HCl

AG001EPJ

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CAS Number	147208-69-3
Catalog Number	AG001EPJ(AGN-PC-0Q005X)
Chemical Name	(R)-1H-Pyrrolidine-2-boronic acid, pinanediol ester, HCl
EC Number	604-578-0
IUPAC Name	(2R)-2-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]pyrrolidine;hydrochloride
InChI	InChI=1S/C14H24BNO2.ClH/c1-13(2)9-7-10(13)14(3)11(8-9)17-15(18-14)12-5-4-6-16-12;/h9-12,16H,4-8H2,1-3H3;1H/t9-,10-,11+,12-,14-;/m0./s1
InChI Key	OVVMNBVQOPZMPY-AKDYBRCWSA-N
MDL Number	MFCD11558911
Molecular Formula	C14H25BClNO2
Molecular Weight	285.6178
SMILES	CC([C@]1([H])C2)(C)[C@]2([H])C[C@]3([H])[C@@]1(C)OB([C@H]4NCCC4)O3.[H]Cl
UNII	J6V3ET5R6W
Synonyms	147208-69-3, (R)-BoroPro-(+)-Pinanediol-HCl, (R)-2-Pyrrolidineboronic acid (+)-pinanediol ester hydrochloride, (R)-2-((3aS,4S,6S,7aR)-3a,5,5-Trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborol-2-yl)pyrrolidine hydrochloride, (R)-2-Pyrrolidineboronic acid pinanediol ester hydrochloride, UNII-J6V3ET5R6W, J6V3ET5R6W, (R)-1H-Pyrrolidine-2-boronic acid, pinanediol ester, HCl, (R)-1H-Pyrrolidine-2-boronic acid, pinanediol ester hydrochloride, (R)-BoroPro-(+)-Pinanediol hydrochloride, (R)-BoroPro-(+)-Pinanediol HCl, PubChem11594, C14H24BNO2.HCl, DTXSID00673177, Pyrrolidine, 2-((3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl)-, hydrochloride (1:1), (2R)-, MFCD11558911, AKOS005137998, AKOS015901819, AC-4703, AK-45073, AN-11722, BC678965, BR-45073, AX8047804, ST2414434, AM20120632, FT-0603987, B-2964, 208R693, I14-14053, Pinanediol pyrrolidin-2-ylboronate hydrochloride, (+)-, 1,2-bis(2-aminophenoxy)-ethane-n,n,n'n'-tetraacetic acid, (2R)-2-[(3aS,4S,6S,7aR)-3a,5,5-Trimethylhexahydro-2H-4,6-methano-1,3,2-benzodioxaborol-2-yl]pyrrolidine--hydrogen chloride (1/1), Pyrrolidine, 2-(hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl)-, hydrochloride, (3as-(2(S*),3aalpha,4beta,6beta,7aalpha))-, -BoroPro- -Pinanediol-HCl, OVVMNBVQOPZMPY-AKDYBRCWSA-N, ACN-034693, CB12018, A3216, (R)-2-Pyrrolidineboronicacid(+)-pinanediolesterhydrochloride, Pyrrolidine, 2-[(3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-, hydrochloride (1:1), (2R)-,

Complexity	375
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	285.167g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	285.619g/mol
Monoisotopic Mass	285.167g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	30.5A^2
Undefined Atom Stereocenter Count	0
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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