AG002MFJ

23162-15-4 | 1-Tetradecanol, 1,1',1''-triester with boric acid (H3BO3)

AG002MFJ

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CAS Number	23162-15-4
Catalog Number	AG002MFJ(AGN-PC-0QZKNX)
Chemical Name	1-Tetradecanol, 1,1',1''-triester with boric acid (H3BO3)
EC Number	245-467-3
IUPAC Name	tritetradecyl borate
InChI	InChI=1S/C42H87BO3/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-44-43(45-41-38-35-32-29-26-23-20-17-14-11-8-5-2)46-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-42H2,1-3H3
InChI Key	WTBVYJWHTHPPKB-UHFFFAOYSA-N
MDL Number	MFCD06797053
Molecular Formula	C42H87BO3
Molecular Weight	650.9494
SMILES	CCCCCCCCCCCCCCOB(OCCCCCCCCCCCCCC)OCCCCCCCCCCCCCC
Synonyms	Tritetradecyl Borate, 23162-15-4, Boric acid tri-n-tetradecyl ester, 1-Tetradecanol, triester with boric acid (H3BO3), Boric Acid Tritetradecyl Ester, 1-Tetradecanol, 1,1',1''-triester with boric acid (H3BO3), Tri(tetradecyl) borate, Myristyl alcohol borate, EINECS 245-467-3, ACMC-209g1u, AC1L21PB, SCHEMBL352047, DTXSID6066862, CTK8B1254, ANW-25072, MFCD06797053, AKOS015833602, ZINC195762012, TR-010812, I14-57315, C42H87BO3, CID64670, C42-H87-B-O3, 1-Tetradecanol, triester with boric acid, B2097,

Complexity	446
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	650.675g/mol
Formal Charge	0
Heavy Atom Count	46
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	650.965g/mol
Monoisotopic Mass	650.675g/mol
Rotatable Bond Count	42
Topological Polar Surface Area	27.7A^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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