1,4,7,10,13,16-hexaazacyclooctadecane

1,4,7,10,13,16-hexaazacyclooctadecane

CAS: 296-35-5

Formula: C12H30N6

SMILES: C1CNCCNCCNCCNCCNCCN1

IUPAC: 1,4,7,10,13,16-hexaazacyclooctadecane

InChI: InChI=1S/C12H30N6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h13-18H,1-12H2

Composition: C (55.78%), H (11.70%), N (32.52%)

Molar Mass: 258.414

Atom Count: 48

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	258.25319499
Formal Charge	0
FSP3	1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	6
InChIKey	RVJABZUDCPZPPM-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	76.35
Topological Polar Surface Area	72.18
Polarizability	31.28
Ring Count	1
Rotatable Bond Count	0

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