Home Carboxys 4-Isoquinolinecarboxylic acid, decahydro-, ethyl ester,(4R,4aR,8aS)-rel-, acetate

4-Isoquinolinecarboxylic acid, decahydro-, ethyl ester,(4R,4aR,8aS)-rel-, acetate

CAS No.:
646518-35-6
Catalog Number:
AG00IBEA
Molecular Formula:
C14H25NO4
Molecular Weight:
271.3526
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$315
- +
250mg
95%
In Stock USA
United States
$588
- +
1g
95%
In Stock USA
United States
$1176
- +
5g
95%
In Stock USA
United States
$3528
- +
Product Description
Catalog Number:
AG00IBEA
Chemical Name:
4-Isoquinolinecarboxylic acid, decahydro-, ethyl ester,(4R,4aR,8aS)-rel-, acetate
CAS Number:
646518-35-6
Molecular Formula:
C14H25NO4
Molecular Weight:
271.3526
MDL Number:
MFCD28390343
IUPAC Name:
acetic acid;ethyl (4R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-4-carboxylate
InChI:
InChI=1S/C12H21NO2.C2H4O2/c1-2-15-12(14)11-8-13-7-9-5-3-4-6-10(9)11;1-2(3)4/h9-11,13H,2-8H2,1H3;1H3,(H,3,4)/t9-,10-,11+;/m1./s1
InChI Key:
JTGYDIIAPFOIAF-NQHCQCOHSA-N
SMILES:
CC(=O)O.CCOC(=O)[C@H]1CNC[C@@H]2[C@H]1CCCC2
Properties
Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
271.178g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
271.357g/mol
Monoisotopic Mass:
271.178g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties