Cyclen

Catalog Number	ACM294906-1
CAS	294-90-6
Structure
Synonyms	10-Tetraazacyclododecane
IUPAC Name	1,4,7,10-Tetrazacyclododecane
Molecular Weight	172.27
Molecular Formula	C8H20N4
Canonical SMILES	C1CNCCNCCNCCN1
InChI	InChI=1S/C8H20N4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h9-12H,1-8H2
InChI Key	QBPPRVHXOZRESW-UHFFFAOYSA-N
Boiling Point	292.61 °C
Melting Point	110-113 °C (lit.)
Purity	98%
Density	1.0415 g/ml
Appearance	Light-yellow powder
EC Number	425-450-9; 608-365-3
Exact Mass	172.16879665
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	4
Monoisotopic Mass	172.16879665
pKa	10.53±0.20
Rotatable Bond Count	0
Topological Polar Surface Area	48.1 Ų