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1492782-26-9 | 5-(2-methylpiperazin-1-yl)isoquinoline
CAS No: 1492782-26-9 Catalog No: AG01BESH MDL No:MFCD21452842
Product Description
Catalog Number:
AG01BESH
Chemical Name:
5-(2-methylpiperazin-1-yl)isoquinoline
CAS Number:
1492782-26-9
Molecular Formula:
C14H17N3
Molecular Weight:
227.3049
MDL Number:
MFCD21452842
IUPAC Name:
5-(2-methylpiperazin-1-yl)isoquinoline
InChI:
InChI=1S/C14H17N3/c1-11-9-16-7-8-17(11)14-4-2-3-12-10-15-6-5-13(12)14/h2-6,10-11,16H,7-9H2,1H3
InChI Key:
BDNZUHNXMWLNHX-UHFFFAOYSA-N
SMILES:
CC1CNCCN1c1cccc2c1ccnc2
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.311g/mol
Monoisotopic Mass:
227.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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