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337311-00-9 | 3-(2
CAS No: 337311-00-9 Catalog No: AG01FODI MDL No:
Product Description
Catalog Number:
AG01FODI
Chemical Name:
3-(2
CAS Number:
337311-00-9
IUPAC Name:
3-(2,2-dimethyloxan-4-yl)-3-phenylpropan-1-amine
InChI:
InChI=1S/C16H25NO/c1-16(2)12-14(9-11-18-16)15(8-10-17)13-6-4-3-5-7-13/h3-7,14-15H,8-12,17H2,1-2H3
InChI Key:
PKJTUAABUQKSKU-UHFFFAOYSA-N
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.194g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.382g/mol
Monoisotopic Mass:
247.194g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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