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88207-56-1 | 2(1H)-Naphthalenone, 1-[2-(dimethylamino)ethyl]-3,4-dihydro-1-methyl-
CAS No: 88207-56-1 Catalog No: AG004C3B MDL No:
Product Description
Catalog Number:
AG004C3B
Chemical Name:
2(1H)-Naphthalenone, 1-[2-(dimethylamino)ethyl]-3,4-dihydro-1-methyl-
CAS Number:
88207-56-1
Molecular Formula:
C15H21NO
Molecular Weight:
231.3333
IUPAC Name:
1-[2-(dimethylamino)ethyl]-1-methyl-3,4-dihydronaphthalen-2-one
InChI:
InChI=1S/C15H21NO/c1-15(10-11-16(2)3)13-7-5-4-6-12(13)8-9-14(15)17/h4-7H,8-11H2,1-3H3
InChI Key:
KTSCTJLDPNLKSS-UHFFFAOYSA-N
SMILES:
CN(CCC1(C)C(=O)CCc2c1cccc2)C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.162g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.339g/mol
Monoisotopic Mass:
231.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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