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99914-42-8 | 2-(2,6-DIMETHYLPHENOXY)-N-ETHYLETHANAMINE
CAS No: 99914-42-8 Catalog No: AG003VJ0 MDL No:MFCD08753025
Product Description
Catalog Number:
AG003VJ0
Chemical Name:
2-(2,6-DIMETHYLPHENOXY)-N-ETHYLETHANAMINE
CAS Number:
99914-42-8
Molecular Formula:
C12H19NO
Molecular Weight:
193.2854
MDL Number:
MFCD08753025
IUPAC Name:
2-(2,6-dimethylphenoxy)-N-ethylethanamine
InChI:
InChI=1S/C12H19NO/c1-4-13-8-9-14-12-10(2)6-5-7-11(12)3/h5-7,13H,4,8-9H2,1-3H3
InChI Key:
WKYDJFOMCBXQBE-UHFFFAOYSA-N
SMILES:
CCNCCOc1c(C)cccc1C
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.147g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.29g/mol
Monoisotopic Mass:
193.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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