Home Carboxys 1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid ethyl ester, HCl

1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid ethyl ester, HCl

CAS No.:
103733-33-1
Catalog Number:
AG0085FN
Molecular Formula:
C12H16ClNO2
Molecular Weight:
241.7139
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$88
- +
1g
98%
In Stock USA
United States
$263
- +
5g
98%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG0085FN
Chemical Name:
1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid ethyl ester, HCl
CAS Number:
103733-33-1
Molecular Formula:
C12H16ClNO2
Molecular Weight:
241.7139
MDL Number:
MFCD08689587
IUPAC Name:
ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate;hydrochloride
InChI:
InChI=1S/C12H15NO2.ClH/c1-2-15-12(14)11-10-6-4-3-5-9(10)7-8-13-11;/h3-6,11,13H,2,7-8H2,1H3;1H
InChI Key:
LRLJUGFKJBKGTR-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1NCCc2c1cccc2.Cl
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.087g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
241.715g/mol
Monoisotopic Mass:
241.087g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties