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1343368-57-9 | 1,3-dimethyl-6-propoxy-1,2,3,4-tetrahydroisoquinoline, Mixture of diastereomers
CAS No: 1343368-57-9 Catalog No: AG01EHUV MDL No:MFCD20393911
Product Description
Catalog Number:
AG01EHUV
Chemical Name:
1,3-dimethyl-6-propoxy-1,2,3,4-tetrahydroisoquinoline, Mixture of diastereomers
CAS Number:
1343368-57-9
Molecular Formula:
C14H21NO
Molecular Weight:
219.3226
MDL Number:
MFCD20393911
IUPAC Name:
1,3-dimethyl-6-propoxy-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C14H21NO/c1-4-7-16-13-5-6-14-11(3)15-10(2)8-12(14)9-13/h5-6,9-11,15H,4,7-8H2,1-3H3
InChI Key:
LSCPXXITGHPXSH-UHFFFAOYSA-N
SMILES:
CCCOc1ccc2c(c1)CC(NC2C)C
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.162g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.328g/mol
Monoisotopic Mass:
219.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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