1,4,7,10-Tetraazacyclododecane tetrahydrochloride

Catalog Number	ACM10045257-1
CAS	10045-25-7
Structure
Synonyms	Cyclen tetrahydrochloride; Tetraaza-12-crown-4 tetrahydrochloride
IUPAC Name	1,4,7,10-tetrazacyclododecane;tetrahydrochloride
Molecular Weight	318.12
Molecular Formula	C8H24Cl4N4
Canonical SMILES	C1CNCCNCCNCCN1.Cl.Cl.Cl.Cl
InChI	SBWLCGZEBQGYRP-UHFFFAOYSA-N
InChI Key	InChI=1S/C8H20N4.4ClH/c1-2-10-5-6-12-8-7-11-4-3-9-1;;;;/h9-12H,1-8H2;4*1H
Melting Point	297-300 °C
Purity	98%
Appearance	White crystalline solid
Complexity	65.1
Covalently-Bonded Unit Count	5
EC Number	600-097-5
Exact Mass	318.072557
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	8
Monoisotopic Mass	316.075508
Rotatable Bond Count	0
Topological Polar Surface Area	48.1 Ų