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1409425-37-1 | 1-(3-phenylpropyl)-1,2,3,4-tetrahydroisoquinoline
CAS No: 1409425-37-1 Catalog No: AG01C5B9 MDL No:MFCD19412237
Product Description
Catalog Number:
AG01C5B9
Chemical Name:
1-(3-phenylpropyl)-1,2,3,4-tetrahydroisoquinoline
CAS Number:
1409425-37-1
Molecular Formula:
C18H21N
Molecular Weight:
251.3660
MDL Number:
MFCD19412237
IUPAC Name:
1-(3-phenylpropyl)-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C18H21N/c1-2-7-15(8-3-1)9-6-12-18-17-11-5-4-10-16(17)13-14-19-18/h1-5,7-8,10-11,18-19H,6,9,12-14H2
InChI Key:
ZIFKNYPBHUTZEG-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CCCC1NCCc2c1cccc2
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.167g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.373g/mol
Monoisotopic Mass:
251.167g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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