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140626-92-2 | 2H-Azepin-2-one, 1,1',1''-phosphinidynetris[hexahydro-
CAS No: 140626-92-2 Catalog No: AG001CKT MDL No:
Product Description
Catalog Number:
AG001CKT
Chemical Name:
2H-Azepin-2-one, 1,1',1''-phosphinidynetris[hexahydro-
CAS Number:
140626-92-2
Molecular Formula:
C18H30N3O3P
Molecular Weight:
367.4229
IUPAC Name:
1-bis(2-oxoazepan-1-yl)phosphanylazepan-2-one
InChI:
InChI=1S/C18H30N3O3P/c22-16-10-4-1-7-13-19(16)25(20-14-8-2-5-11-17(20)23)21-15-9-3-6-12-18(21)24/h1-15H2
InChI Key:
RPMLCKRALOLQOO-UHFFFAOYSA-N
SMILES:
O=C1CCCCCN1P(N1CCCCCC1=O)N1CCCCCC1=O
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.202g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
367.43g/mol
Monoisotopic Mass:
367.202g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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