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101418-04-6

101418-04-6 | Ethanone, 1-[9-[3-(4-ethoxy-1-piperidinyl)propyl]-9H-carbazol-2-yl]-, monohydrochloride (9CI)

CAS No: 101418-04-6 Catalog No: AG0004GA MDL No:

Product Description

Catalog Number:
AG0004GA
Chemical Name:
Ethanone, 1-[9-[3-(4-ethoxy-1-piperidinyl)propyl]-9H-carbazol-2-yl]-, monohydrochloride (9CI)
CAS Number:
101418-04-6
Molecular Formula:
C24H31ClN2O2
Molecular Weight:
414.9681
IUPAC Name:
1-[9-[3-(4-ethoxypiperidin-1-yl)propyl]carbazol-2-yl]ethanone;chloride
InChI:
InChI=1S/C24H30N2O2.ClH/c1-3-28-20-11-15-25(16-12-20)13-6-14-26-23-8-5-4-7-21(23)22-10-9-19(18(2)27)17-24(22)26;/h4-5,7-10,17,20H,3,6,11-16H2,1-2H3;1H/p-1
InChI Key:
LRUZXEMZDIUOMD-UHFFFAOYSA-M
SMILES:
CCOC1CCN(CC1)CCCn1c2ccccc2c2c1cc(cc2)C(=O)C.Cl

Properties

Complexity:
517  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.2g/mol
Formal Charge:
-1  
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
413.966g/mol
Monoisotopic Mass:
413.2g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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