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820238-30-0 | Isoquinoline, 1,2,3,4-tetrahydro-5-propoxy-, hydrochloride
CAS No: 820238-30-0 Catalog No: AG008KCN MDL No:
Product Description
Catalog Number:
AG008KCN
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-5-propoxy-, hydrochloride
CAS Number:
820238-30-0
Molecular Formula:
C12H18ClNO
Molecular Weight:
227.7304
IUPAC Name:
5-propoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
InChI:
InChI=1S/C12H17NO.ClH/c1-2-8-14-12-5-3-4-10-9-13-7-6-11(10)12;/h3-5,13H,2,6-9H2,1H3;1H
InChI Key:
ZXDLAWHZGCEYCD-UHFFFAOYSA-N
SMILES:
CCCOc1cccc2c1CCNC2.Cl
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.108g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.732g/mol
Monoisotopic Mass:
227.108g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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