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138141-34-1 | 1-Isoquinolinemethanamine, N-cycloheptyl-
CAS No: 138141-34-1 Catalog No: AG00181A MDL No:
Product Description
Catalog Number:
AG00181A
Chemical Name:
1-Isoquinolinemethanamine, N-cycloheptyl-
CAS Number:
138141-34-1
Molecular Formula:
C17H22N2
Molecular Weight:
254.3700
IUPAC Name:
N-(isoquinolin-1-ylmethyl)cycloheptanamine
InChI:
InChI=1S/C17H22N2/c1-2-4-9-15(8-3-1)19-13-17-16-10-6-5-7-14(16)11-12-18-17/h5-7,10-12,15,19H,1-4,8-9,13H2
InChI Key:
YDVGANVOOGGVLQ-UHFFFAOYSA-N
SMILES:
C1CCCC(CC1)NCc1nccc2c1cccc2
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.178g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.377g/mol
Monoisotopic Mass:
254.178g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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