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89129-27-1 | 1,3,5-Dioxaphosphorinan-5-amine, 2,4,6-tris(1-methylethyl)-N-phenyl-
CAS No: 89129-27-1 Catalog No: AG003Y86 MDL No:
Product Description
Catalog Number:
AG003Y86
Chemical Name:
1,3,5-Dioxaphosphorinan-5-amine, 2,4,6-tris(1-methylethyl)-N-phenyl-
CAS Number:
89129-27-1
Molecular Formula:
C18H30NO2P
Molecular Weight:
323.4101
IUPAC Name:
N-phenyl-2,4,6-tri(propan-2-yl)-1,3,5-dioxaphosphinan-5-amine
InChI:
InChI=1S/C18H30NO2P/c1-12(2)16-20-17(13(3)4)22(18(21-16)14(5)6)19-15-10-8-7-9-11-15/h7-14,16-19H,1-6H3
InChI Key:
DORRGKXGLBCXPW-UHFFFAOYSA-N
SMILES:
CC(C1OC(OC(P1Nc1ccccc1)C(C)C)C(C)C)C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.201g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.417g/mol
Monoisotopic Mass:
323.201g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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