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138536-82-0 | Benzenemethanamine, 4-(5,5-dimethyl-1,3-dioxan-2-yl)-
CAS No: 138536-82-0 Catalog No: AG0019EZ MDL No:
Product Description
Catalog Number:
AG0019EZ
Chemical Name:
Benzenemethanamine, 4-(5,5-dimethyl-1,3-dioxan-2-yl)-
CAS Number:
138536-82-0
Molecular Formula:
C13H19NO2
Molecular Weight:
221.2955
IUPAC Name:
[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]methanamine
InChI:
InChI=1S/C13H19NO2/c1-13(2)8-15-12(16-9-13)11-5-3-10(7-14)4-6-11/h3-6,12H,7-9,14H2,1-2H3
InChI Key:
BSCRAZLEPIDFGX-UHFFFAOYSA-N
SMILES:
NCc1ccc(cc1)C1OCC(CO1)(C)C
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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