AG000TAX

1268340-93-7 | Borate(1-), trifluoro(1-piperidinylmethyl)-, hydrogen (1:1), (T-4)-

AG000TAX

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CAS Number	1268340-93-7
Catalog Number	AG000TAX(AGN-PC-0WAG0M)
Chemical Name	Borate(1-), trifluoro(1-piperidinylmethyl)-, hydrogen (1:1), (T-4)-
IUPAC Name	trifluoro(piperidin-1-ium-1-ylmethyl)boranuide
InChI	InChI=1S/C6H12BF3N/c8-7(9,10)6-11-4-2-1-3-5-11/h1-6H2/q-1/p+1
InChI Key	PFMNVTAJBBIDDU-UHFFFAOYSA-O
MDL Number	MFCD18071160
Molecular Formula	C6H13BF3N
Molecular Weight	166.9803
SMILES	F[B-](C[NH+]1CCCCC1)(F)F
Synonyms	(Piperidinium-1-ylmethyl)trifluoroborate, 1268340-93-7, MFCD18071160, DTXSID80692881, Piperidinium-1-ylmethyltrifluoroboronanion, P2287, Trifluoro[(piperidin-1-ium-1-yl)methyl]borate(1-), (Piperidinium-1-ylmethyl)trifluoroborate, internal salt, (Piperidinium-1-ylmethyl)trifluoroborate internal salt,

Complexity	120
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.109g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	166.982g/mol
Monoisotopic Mass	167.109g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	4.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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