200,000+ products from a single source!
sales@angenechem.com
88014-12-4 | 2(1H)-Isoquinolinehexanoic acid, 3,4-dihydro-, ethyl ester
CAS No: 88014-12-4 Catalog No: AG008DZL MDL No:
Product Description
Catalog Number:
AG008DZL
Chemical Name:
2(1H)-Isoquinolinehexanoic acid, 3,4-dihydro-, ethyl ester
CAS Number:
88014-12-4
Molecular Formula:
C17H25NO2
Molecular Weight:
275.3859
IUPAC Name:
ethyl 6-(3,4-dihydro-1H-isoquinolin-2-yl)hexanoate
InChI:
InChI=1S/C17H25NO2/c1-2-20-17(19)10-4-3-7-12-18-13-11-15-8-5-6-9-16(15)14-18/h5-6,8-9H,2-4,7,10-14H2,1H3
InChI Key:
NKWRRUDMBOHWFC-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCN1CCc2c(C1)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:
275.189g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.392g/mol
Monoisotopic Mass:
275.189g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Related Products
© 2019 Angene International Limited. All rights Reserved.