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124686-47-1 | 1,3-Dioxan-5-amine, N,2,2-trimethyl-4-phenyl-, (4S,5S)-
CAS No: 124686-47-1 Catalog No: AG000MMC MDL No:
Product Description
Catalog Number:
AG000MMC
Chemical Name:
1,3-Dioxan-5-amine, N,2,2-trimethyl-4-phenyl-, (4S,5S)-
CAS Number:
124686-47-1
Molecular Formula:
C13H19NO2
Molecular Weight:
221.2955
IUPAC Name:
(4S,5S)-N,2,2-trimethyl-4-phenyl-1,3-dioxan-5-amine
InChI:
InChI=1S/C13H19NO2/c1-13(2)15-9-11(14-3)12(16-13)10-7-5-4-6-8-10/h4-8,11-12,14H,9H2,1-3H3/t11-,12-/m0/s1
InChI Key:
OLDLOVICBLVDFQ-RYUDHWBXSA-N
SMILES:
CN[C@H]1COC(O[C@H]1c1ccccc1)(C)C
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
221.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.3g/mol
Monoisotopic Mass:
221.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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