AG009XG5

1214264-88-6 | 1-Pinacolato-2-(1,8)diamo-naphthalenylborane

AG009XG5

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CAS Number	1214264-88-6
Catalog Number	AG009XG5(AGN-PC-0WANI8)
Chemical Name	1-Pinacolato-2-(1,8)diamo-naphthalenylborane
IUPAC Name	3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene
InChI	InChI=1S/C16H20B2N2O2/c1-15(2)16(3,4)22-18(21-15)17-19-12-9-5-7-11-8-6-10-13(20-17)14(11)12/h5-10,19-20H,1-4H3
InChI Key	WWUSOISWGYNXKX-UHFFFAOYSA-N
MDL Number	MFCD27980593
Molecular Formula	C16H20B2N2O2
Molecular Weight	293.9642
SMILES	CC1(C)C(C)(C)OB(B(N2)NC3=CC=CC4=C3C2=CC=C4)O1
Synonyms	1214264-88-6, 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine, AMTB863, C16H20B2N2, KS-00000SU5, MFCD27980593, AKOS025146553, ZINC169810187, AS-2877, AK165241, OR310571, 1-pinacolato-2-(1,8)diamo-naphthalenylborane, 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane-2-yl)-2,3-dihydro-1,3-diaza-2-bora-1H-phenalene, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,4-diaza-3-boratricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene,

Complexity	410
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	294.171g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	293.968g/mol
Monoisotopic Mass	294.171g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	42.5A^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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