200,000+ products from a single source!
sales@angenechem.com
84835-33-6 | 1-Isoquinolinepropanoic acid, 1,2,3,4-tetrahydro-2-propyl-, methyl ester
CAS No: 84835-33-6 Catalog No: AG004N4C MDL No:
Product Description
Catalog Number:
AG004N4C
Chemical Name:
1-Isoquinolinepropanoic acid, 1,2,3,4-tetrahydro-2-propyl-, methyl ester
CAS Number:
84835-33-6
Molecular Formula:
C16H23NO2
Molecular Weight:
261.3593
IUPAC Name:
methyl 3-(2-propyl-3,4-dihydro-1H-isoquinolin-1-yl)propanoate
InChI:
InChI=1S/C16H23NO2/c1-3-11-17-12-10-13-6-4-5-7-14(13)15(17)8-9-16(18)19-2/h4-7,15H,3,8-12H2,1-2H3
InChI Key:
VRDYIPJYITZJQX-UHFFFAOYSA-N
SMILES:
CCCN1CCc2c(C1CCC(=O)OC)cccc2
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.173g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.365g/mol
Monoisotopic Mass:
261.173g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.