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89435-78-9 | Piperidinium, 1-[(diethoxyphosphinyl)methyl]-1-(phenylmethyl)-, bromide
CAS No: 89435-78-9 Catalog No: AG00441J MDL No:
Product Description
Catalog Number:
AG00441J
Chemical Name:
Piperidinium, 1-[(diethoxyphosphinyl)methyl]-1-(phenylmethyl)-, bromide
CAS Number:
89435-78-9
Molecular Formula:
C17H29BrNO3P
Molecular Weight:
406.2948
IUPAC Name:
1-benzyl-1-(diethoxyphosphorylmethyl)piperidin-1-ium;bromide
InChI:
InChI=1S/C17H29NO3P.BrH/c1-3-20-22(19,21-4-2)16-18(13-9-6-10-14-18)15-17-11-7-5-8-12-17;/h5,7-8,11-12H,3-4,6,9-10,13-16H2,1-2H3;1H/q+1;/p-1
InChI Key:
MNTBMVQJPVDHOZ-UHFFFAOYSA-M
SMILES:
CCOP(=O)(C[N+]1(CCCCC1)Cc1ccccc1)OCC.[Br-]
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.107g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
406.301g/mol
Monoisotopic Mass:
405.107g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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