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178163-63-8 | Benzenemethanamine, 4-(1,4-dioxaspiro[4.5]dec-8-yl)-
CAS No: 178163-63-8 Catalog No: AG0025TB MDL No:
Product Description
Catalog Number:
AG0025TB
Chemical Name:
Benzenemethanamine, 4-(1,4-dioxaspiro[4.5]dec-8-yl)-
CAS Number:
178163-63-8
Molecular Formula:
C15H21NO2
Molecular Weight:
247.3327
IUPAC Name:
[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methanamine
InChI:
InChI=1S/C15H21NO2/c16-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)17-9-10-18-15/h1-4,14H,5-11,16H2
InChI Key:
YODALNBFVXLPTG-UHFFFAOYSA-N
SMILES:
NCc1ccc(cc1)C1CCC2(CC1)OCCO2
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.157g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.338g/mol
Monoisotopic Mass:
247.157g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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