Home Other Building Blocks 1,3-dimethyl-6-propoxy-1,2,3,4-tetrahydroisoquinoline, Mixture of diastereomers

1,3-dimethyl-6-propoxy-1,2,3,4-tetrahydroisoquinoline, Mixture of diastereomers

CAS No.:
1343368-57-9
Catalog Number:
AG01EHUV
Molecular Formula:
C14H21NO
Molecular Weight:
219.3226
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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  
Properties