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40615-08-5 | 1-Isoquinolinemethanamine
CAS No: 40615-08-5 Catalog No: AG0037WU MDL No:MFCD06213370
Product Description
Catalog Number:
AG0037WU
Chemical Name:
1-Isoquinolinemethanamine
CAS Number:
40615-08-5
Molecular Formula:
C10H10N2
Molecular Weight:
158.1998
MDL Number:
MFCD06213370
IUPAC Name:
isoquinolin-1-ylmethanamine
InChI:
InChI=1S/C10H10N2/c11-7-10-9-4-2-1-3-8(9)5-6-12-10/h1-6H,7,11H2
InChI Key:
FEWQWMKPPJZYCQ-UHFFFAOYSA-N
SMILES:
NCc1nccc2c1cccc2
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.204g/mol
Monoisotopic Mass:
158.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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