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1909327-37-2 | 1-(3-phenylpropyl)-1,2,3,4-tetrahydroisoquinoline hydrochloride
CAS No: 1909327-37-2 Catalog No: AG01C5B8 MDL No:MFCD29763360
Product Description
Catalog Number:
AG01C5B8
Chemical Name:
1-(3-phenylpropyl)-1,2,3,4-tetrahydroisoquinoline hydrochloride
CAS Number:
1909327-37-2
Molecular Formula:
C18H22ClN
Molecular Weight:
287.8270
MDL Number:
MFCD29763360
IUPAC Name:
1-(3-phenylpropyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
InChI:
InChI=1S/C18H21N.ClH/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;1H
InChI Key:
SEOZAWYGDSPIBC-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CCCC1NCCc2c1cccc2.Cl
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.144g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
287.831g/mol
Monoisotopic Mass:
287.144g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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