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89062-14-6 | 1-Butanamine, 4-[(2-chloro-2,3-dihydro-1H-inden-1-yl)oxy]-N,N-diethyl-
CAS No: 89062-14-6 Catalog No: AG004112 MDL No:
Product Description
Catalog Number:
AG004112
Chemical Name:
1-Butanamine, 4-[(2-chloro-2,3-dihydro-1H-inden-1-yl)oxy]-N,N-diethyl-
CAS Number:
89062-14-6
Molecular Formula:
C17H26ClNO
Molecular Weight:
295.8474
IUPAC Name:
4-[(2-chloro-2,3-dihydro-1H-inden-1-yl)oxy]-N,N-diethylbutan-1-amine
InChI:
InChI=1S/C17H26ClNO/c1-3-19(4-2)11-7-8-12-20-17-15-10-6-5-9-14(15)13-16(17)18/h5-6,9-10,16-17H,3-4,7-8,11-13H2,1-2H3
InChI Key:
ZQQGUFVQPPZXKR-UHFFFAOYSA-N
SMILES:
CCN(CCCCOC1C(Cl)Cc2c1cccc2)CC
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.17g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.851g/mol
Monoisotopic Mass:
295.17g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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