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10159-02-1 | Benzenamine, 4-chloro-2-(1,2,3,4-tetrahydro-1-isoquinolinyl)-
CAS No: 10159-02-1 Catalog No: AG0004XN MDL No:
Product Description
Catalog Number:
AG0004XN
Chemical Name:
Benzenamine, 4-chloro-2-(1,2,3,4-tetrahydro-1-isoquinolinyl)-
CAS Number:
10159-02-1
Molecular Formula:
C15H15ClN2
Molecular Weight:
258.7460
IUPAC Name:
4-chloro-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)aniline
InChI:
InChI=1S/C15H15ClN2/c16-11-5-6-14(17)13(9-11)15-12-4-2-1-3-10(12)7-8-18-15/h1-6,9,15,18H,7-8,17H2
InChI Key:
BZMLGOYHWVTNMK-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)C1NCCc2c1cccc2)N
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.092g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.749g/mol
Monoisotopic Mass:
258.092g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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