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100617-49-0 | Cyclohexanemethanamine, 2-phenoxy-
CAS No: 100617-49-0 Catalog No: AG0002HS MDL No:
Product Description
Catalog Number:
AG0002HS
Chemical Name:
Cyclohexanemethanamine, 2-phenoxy-
CAS Number:
100617-49-0
Molecular Formula:
C13H19NO
Molecular Weight:
205.2961
IUPAC Name:
(2-cyclohexyloxyphenyl)methanamine
InChI:
InChI=1S/C13H19NO/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8,10,14H2
InChI Key:
AQJQZWYCESCJNC-UHFFFAOYSA-N
SMILES:
NCC1CCCCC1Oc1ccccc1
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.147g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.301g/mol
Monoisotopic Mass:
205.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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