N,N-bis(1-phenylethyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.0²,¹¹.0³,?.0¹?,²³]tricosan-13-amine

N,N-bis(1-phenylethyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.0²,¹¹.0³,?.0¹?,²³]tricosan-13-amine

CAS: 497883-22-4

Formula: C36H50NO2P

SMILES: CC(N(C(C)C1=CC=CC=C1)P1OC2CCC3CCCCC3C2C2C(CCC3CCCCC23)O1)C1=CC=CC=C1

IUPAC: N,N-bis(1-phenylethyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.0²,¹¹.0³,?.0¹?,²³]tricosan-13-amine

InChI: InChI=1/C36H50NO2P/c1-25(27-13-5-3-6-14-27)37(26(2)28-15-7-4-8-16-28)40-38-33-23-21-29-17-9-11-19-31(29)35(33)36-32-20-12-10-18-30(32)22-24-34(36)39-40/h3-8,13-16,25-26,29-36H,9-12,17-24H2,1-2H3

Composition: C (77.24%), H (9.00%), N (2.50%), O (5.72%), P (5.53%)

Molar Mass: 559.775

Atom Count: 90

Heavy Atom Count: 40

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	10
Exact Mass	559.357916852
Formal Charge	0
FSP3	0.67
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	PPLIGSFVBQXHMH-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	165.85
Topological Polar Surface Area	21.7
Polarizability	66.14
Ring Count	7
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
99%	<5 Days	497883-22-4		$45.40-$2,969.66$45.40$317.77$1,006.28$2,969.66