AG003CB1

779357-85-6 | (R)-BoroLeu-(+)-Pinanediol hydrochloride

AG003CB1

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CAS Number	779357-85-6
Catalog Number	AG003CB1(AGN-PC-0UCOBR)
Chemical Name	(R)-BoroLeu-(+)-Pinanediol hydrochloride
IUPAC Name	(1R)-3-methyl-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]butan-1-amine;hydrochloride
InChI	InChI=1S/C15H28BNO2.ClH/c1-9(2)6-13(17)16-18-12-8-10-7-11(14(10,3)4)15(12,5)19-16;/h9-13H,6-8,17H2,1-5H3;1H/t10-,11-,12+,13-,15-;/m0./s1
InChI Key	XIWVZUJBIPFACB-CDVUYJLHSA-N
MDL Number	MFCD09841187
Molecular Formula	C15H29BClNO2
Molecular Weight	301.6603
SMILES	CC(C)C[C@@H](B1O[C@@](C[C@@]2([H])C(C)(C)[C@]3([H])C2)([H])[C@@]3(C)O1)N.[H]Cl
Synonyms	779357-85-6, (R)-BoroLeu-(+)-Pinanediol hydrochloride, (R)-BOROLEU-(+)-PINANEDIOL-HCL, (R)-BoroLeu-(+)-Pinanediol HCI, (1R)-(1S,2S,3R,5S)-Pinanediol-1-amino-3-methylbutane-1-boronate, Hydrochloride, (R)-BoroLeu-(+)-Pinanediol-hydrochloride, XIWVZUJBIPFACB-CDVUYJLHSA-N, AK-50122, PubChem11603, C15H29BClNO2, SCHEMBL554448, CTK8E7192, DTXSID70677288, MFCD09841187, AKOS015900268, AC-4706, AN-11725, DS-15336, SC-98939, AX8047799, RT-014887, FT-0603991, ST24043665, (R)-BOROLEU-(+)-PINANEDIOL-HCL97%, 357R856, I14-10630, (R)-Boroleucine-(1S,2S,3R,5S)-(+)-pinanediol ester hydrochloride, (R)-Boroleucine (1S,2S,3R,5S)-(+)-2,3-pinanediol ester hydrochloride, (|AR)-(1S,2S,3R,5S)-Pinanediol-1-amino-3-methylbutane-1-boronate Hydrochloride, (alphaR)-(1S,2S,3R,5S)-Pinanediol-1-amino-3-methylbutane-1-boronate Hydrochloride, (|AR,3aS,4S,6S,7aR)-Hexahydro-3a,5,5-trimethyl-|A-(2-methylpropyl)-4,6-methano-1,3,2-benzodioxaborole-2-methanamine Hydrochloride, (1R)-1-[(3aS, 4S, 6S, 7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-3-methylbutylamine hydrochloride salt, (1R)-1-[(3aS, 4S,6S, 7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-3-methylbutylamine hydrochloride salt, (1r)-1-[(3as,4s,6s,7ar)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-3-methylbutylamine hydrochloride salt, (1R)-3-Methyl-1-[(3aS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-2H-4,6-methano-1,3,2-benzodioxaborol-2-yl]butan-1-amine--hydrogen chloride (1/1), (R)-3-methyl-1-((3aS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborol-2-yl)butan-1-amine hydrochloride, 3-Methyl-1-(2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]dec-4-yl)butylamine Hydrochloride, Not Available, 4-Cyano-1-methylpyrazole, -BoroLeu- -Pinanediol-HCl, (R)-BoroLeu-(+)-Pinanediolhydrochloride, (R)-1-Amino-3-methylbutylboronic acid pinanediol ester hydrochloride, 66121-71-9,

Complexity	373
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	301.198g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	301.662g/mol
Monoisotopic Mass	301.198g/mol
Rotatable Bond Count	3
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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number