3,6,10,13,16,19-hexaazabicyclo[6.6.6]icosane-1,8-diamine

3,6,10,13,16,19-hexaazabicyclo[6.6.6]icosane-1,8-diamine

CAS: 91002-72-1

Formula: C14H34N8

SMILES: NC12CNCCNCC(N)(CNCCNC1)CNCCNC2

IUPAC: 3,6,10,13,16,19-hexaazabicyclo[6.6.6]icosane-1,8-diamine

InChI: InChI=1S/C14H34N8/c15-13-7-17-1-2-18-8-14(16,11-21-5-3-19-9-13)12-22-6-4-20-10-13/h17-22H,1-12,15-16H2

Composition: C (53.47%), H (10.90%), N (35.63%)

Molar Mass: 314.482

Atom Count: 56

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	314.290643127
Formal Charge	0
FSP3	1
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	8
InChIKey	UQQQAKFVWNQYTP-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	89.4
Topological Polar Surface Area	124.22
Polarizability	37.28
Ring Count	2
Rotatable Bond Count	0

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	91002-72-1		$718.29-$1,994.45$718.29$1,994.45