Pyclen

CAT: 0926-DDA66834-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-DDA66834-01Size:50 mg

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CAS Number

78668-34-5

Synonyms

3,6,9,15-Tetrazabicyclo[9.3.1]pentadeca-1 (15),11,13-triene; 1,4,7,10-Tetraaza-2,6-pyridinophane

MDL Number

MFCD01328832

Molecular Formula

C11H18N4

Molecular Weight

206.29 g/mol

Controlled

Chemical Information

3,6,9,15-Tetraazabicyclo(9.3.1)pentadeca-1(15),11,13-triene

CAS Number	78668-34-5
PubChem CID	586675
IUPAC Name	3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene
Molecular Formula	C11H18N4
Molecular Weight	206.29
XLogP	-1
Topological Polar Surface Area	49
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	15
Formal Charge	0
Complexity	158

SMILES

C1CNCC2=NC(=CC=C2)CNCCN1

InChI

InChI=1S/C11H18N4/c1-2-10-8-13-6-4-12-5-7-14-9-11(3-1)15-10/h1-3,12-14H,4-9H2

InChIKey

LNMUPMQUMCDOKO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 78668-34-5

CID: 586675

Formula: C11H18N4

MW: 206.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	206.29
XLogP3	-1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	206.153146591
Monoisotopic Mass	206.153146591
Topological Polar Surface Area	49 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	158
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	1
Compound Is Canonicalized	Yes

Catalog	Name
FP15663-01	PyClU