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27778-84-3 | Benzeneethanamine, 5-chloro-N,N-dimethyl-β-(1-methylpropyl)-2-propoxy-
CAS No: 27778-84-3 Catalog No: AG002UQ8 MDL No:
Product Description
Catalog Number:
AG002UQ8
Chemical Name:
Benzeneethanamine, 5-chloro-N,N-dimethyl-β-(1-methylpropyl)-2-propoxy-
CAS Number:
27778-84-3
Molecular Formula:
C17H28ClNO
Molecular Weight:
297.8633
IUPAC Name:
2-(5-chloro-2-propoxyphenyl)-N,N,3-trimethylpentan-1-amine
InChI:
InChI=1S/C17H28ClNO/c1-6-10-20-17-9-8-14(18)11-15(17)16(12-19(4)5)13(3)7-2/h8-9,11,13,16H,6-7,10,12H2,1-5H3
InChI Key:
IZIQTDPOYZJBRO-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1C(C(CC)C)CN(C)C)Cl
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.186g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.867g/mol
Monoisotopic Mass:
297.186g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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