Cyclam | SSHADE

Molecule

Name: Cyclam

Name and identifiers

IUPAC name: 1,4,8,11-tetrazacyclotetradecane
Secondary names: 1,4,8,11-tetraazacyclotetradecane, [14]aneN4
InChI: InChI=1S/C10H24N4/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1/h11-14H,1-10H2
InChI key: MDAXKAUIABOHTD-UHFFFAOYSA-N
CAS number: 295-37-4
Comments: can exist as 5 different diastereomers depending on the relative orientation of the N–H centres with the conformation "trans-III" (S,S,R,R) being the most thermodynamically stable

Structure and atomic composition

Formula: $(NHCH_2CH_2NHCH_2CH_2CH_2)_2-cycl$
Chemical formula: (C5H10N2H2)2
Structural formula: C1CNCCNCCCNCCNC1
Charge: 0

	Atom	Name	Number
	$C$	Carbon	10
	$H$	Hydrogen	24
	$N$	Nitrogen	4

Stereodescriptor

(S,S,R,R), ... (5 isomers)

Relations

diastereomer

Isotopic composition

Isotope mixture type: terrestrial abundance

Nuclear spin isomers

Spin type: equilibrated

Molar mass: 200.32 $g/mol$
State STP: solid
State NTP: solid
Protic: protic
Polarity: polar

Fundamental vibration modes

Molecule symmetry: unknown
Case: nonlinear-polyatomic

Chemical functions and bonds

Chemical functions

	Function	Number
	$R-NH-R$	4
	$R-CH_2-R$	2

Chemical bonds

	Bond	Number
	$\geq C-C \leq$	6
	$\geq C-H$	20
	$\geq C-N<$	8
	$>N-H$	4