N,N-dicyclohexyl-9,11-dioxa-10-phosphapentacyclo[10.6.1.1¹,?.0¹?,¹?.0?,²?]icosa-4,6,8(20),12,14,16(19)-hexaen-10-amine

N,N-dicyclohexyl-9,11-dioxa-10-phosphapentacyclo[10.6.1.1¹,?.0¹?,¹?.0?,²?]icosa-4,6,8(20),12,14,16(19)-hexaen-10-amine

CAS: 500997-68-2

Formula: C29H36NO2P

SMILES: C1CC23CCC4=C2C(OP(OC2=C3C1=CC=C2)N(C1CCCCC1)C1CCCCC1)=CC=C4

IUPAC: N,N-dicyclohexyl-9,11-dioxa-10-phosphapentacyclo[10.6.1.1¹,?.0¹?,¹?.0?,²?]icosa-4,6,8(20),12,14,16(19)-hexaen-10-amine

InChI: InChI=1S/C29H36NO2P/c1-3-11-23(12-4-1)30(24-13-5-2-6-14-24)33-31-25-15-7-9-21-17-19-29(27(21)25)20-18-22-10-8-16-26(32-33)28(22)29/h7-10,15-16,23-24H,1-6,11-14,17-20H2

Composition: C (75.46%), H (7.86%), N (3.03%), O (6.93%), P (6.71%)

Molar Mass: 461.586

Atom Count: 69

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	461.248366401
Formal Charge	0
FSP3	0.59
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	FYKMEVOKXOBYBJ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	146.08
Topological Polar Surface Area	21.7
Polarizability	52.95
Ring Count	7
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	500997-68-2		$98.36-$379.56$98.36$153.84$379.56