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1194487-42-7 | Cyclopropyl-isoquinolin-1-ylmethyl-amine
CAS No: 1194487-42-7 Catalog No: AG01FBWW MDL No:
Product Description
Catalog Number:
AG01FBWW
Chemical Name:
Cyclopropyl-isoquinolin-1-ylmethyl-amine
CAS Number:
1194487-42-7
Molecular Formula:
C13H14N2
Molecular Weight:
198.2637
IUPAC Name:
N-(isoquinolin-1-ylmethyl)cyclopropanamine
InChI:
InChI=1S/C13H14N2/c1-2-4-12-10(3-1)7-8-14-13(12)9-15-11-5-6-11/h1-4,7-8,11,15H,5-6,9H2
InChI Key:
AZSFWYDHXVOVMC-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c(CNC1CC1)ncc2
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.116g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.269g/mol
Monoisotopic Mass:
198.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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