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157610-84-9 | 5-Isoquinolinemethanamine, N-methyl-
CAS No: 157610-84-9 Catalog No: AG001PKB MDL No:MFCD08572159
Product Description
Catalog Number:
AG001PKB
Chemical Name:
5-Isoquinolinemethanamine, N-methyl-
CAS Number:
157610-84-9
Molecular Formula:
C11H12N2
Molecular Weight:
172.2264
MDL Number:
MFCD08572159
IUPAC Name:
1-isoquinolin-5-yl-N-methylmethanamine
InChI:
InChI=1S/C11H12N2/c1-12-7-9-3-2-4-10-8-13-6-5-11(9)10/h2-6,8,12H,7H2,1H3
InChI Key:
QMEHQGMKUUTMCP-UHFFFAOYSA-N
SMILES:
CNCc1cccc2c1ccnc2
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.231g/mol
Monoisotopic Mass:
172.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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