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83695-71-0 | N-(METHOXY-PHENYLSULFANYL-PHOSPHORYL)-3-PHENYL-PROPAN-1-AMINE
CAS No: 83695-71-0 Catalog No: AG004T83 MDL No:
Product Description
Catalog Number:
AG004T83
Chemical Name:
N-(METHOXY-PHENYLSULFANYL-PHOSPHORYL)-3-PHENYL-PROPAN-1-AMINE
CAS Number:
83695-71-0
Molecular Formula:
C16H20NO2PS
Molecular Weight:
321.3743
IUPAC Name:
N-[methoxy(phenylsulfanyl)phosphoryl]-3-phenylpropan-1-amine
InChI:
InChI=1S/C16H20NO2PS/c1-19-20(18,21-16-12-6-3-7-13-16)17-14-8-11-15-9-4-2-5-10-15/h2-7,9-10,12-13H,8,11,14H2,1H3,(H,17,18)
InChI Key:
PKCGKPFWCYOBAM-UHFFFAOYSA-N
SMILES:
COP(=O)(Sc1ccccc1)NCCCc1ccccc1
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.095g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.375g/mol
Monoisotopic Mass:
321.095g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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