PyClU

CAT: 0926-FP15663-04Size: 1000 gDry Ice: NoHazardous: No

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CAT#:0926-FP15663-04Size:1000 g

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CAS Number

135540-11-3

Synonyms

Chloro-N, N, N', N'-bis (tetramethylene) formamidinium hexafluorophosphate; Chlorodipyrrolidinocarbenium hexafluorophosphate; N, N, N', N'-Bis (tetramethylene) chloroformamidinium hexafluorophosphate

MDL Number

MFCD00191333

Smiles

C1CCN (C1) C (=[N+]2CCCC2) Cl.F[P-] (F) (F) (F) (F) F

Molecular Formula

C9H16N2Cl·PF6

Molecular Weight

332.65 g/mol

Controlled

Chemical Information

1-(Chloro-1-pyrrolidinylmethylene)pyrrolidinium Hexafluorophosphate

CAS Number	135540-11-3
PubChem CID	2736652
IUPAC Name	1-[chloro(pyrrolidin-1-ium-1-ylidene)methyl]pyrrolidine hexafluorophosphate
Molecular Formula	C9H16ClF6N2P
Molecular Weight	332.65
Topological Polar Surface Area	6.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Heavy Atom Count	19
Formal Charge	0
Complexity	228

SMILES

C1CCN(C1)C(=[N+]2CCCC2)Cl.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C9H16ClN2.F6P/c10-9(11-5-1-2-6-11)12-7-3-4-8-12;1-7(2,3,4,5)6/h1-8H2;/q+1;-1

InChIKey

NHEGCUSBUWGOQM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 135540-11-3

CID: 2736652

Formula: C9H16ClF6N2P

MW: 332.65

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	332.65
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Exact Mass	332.0643822
Monoisotopic Mass	332.0643822
Topological Polar Surface Area	6.3 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	228
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
286594-01	PyClU

PyClU

Chemical Information

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