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2060053-10-1

2060053-10-1 | 8-[(piperazin-1-yl)methyl]quinoline trihydrochloride

CAS No: 2060053-10-1 Catalog No: AG01C0DF MDL No:MFCD30497947

Product Description

Catalog Number:
AG01C0DF
Chemical Name:
8-[(piperazin-1-yl)methyl]quinoline trihydrochloride
CAS Number:
2060053-10-1
Molecular Formula:
C14H20Cl3N3
Molecular Weight:
336.6877
MDL Number:
MFCD30497947
IUPAC Name:
8-(piperazin-1-ylmethyl)quinoline;trihydrochloride
InChI:
InChI=1S/C14H17N3.3ClH/c1-3-12-5-2-6-16-14(12)13(4-1)11-17-9-7-15-8-10-17;;;/h1-6,15H,7-11H2;3*1H
InChI Key:
BUJAVHFLNUNUQC-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)Cc1cccc2c1nccc2.Cl.Cl.Cl

Properties

Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.072g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
336.685g/mol
Monoisotopic Mass:
335.072g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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