Home Carboxys 2-Ethyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid hydrochloride

2-Ethyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid hydrochloride

CAS No.:
1101199-16-9
Catalog Number:
AG0090TI
Molecular Formula:
C12H16ClNO2
Molecular Weight:
241.7139
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
10g
95%
In Stock USA
United States
$343
- +
Product Description
Catalog Number:
AG0090TI
Chemical Name:
2-Ethyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid hydrochloride
CAS Number:
1101199-16-9
Molecular Formula:
C12H16ClNO2
Molecular Weight:
241.7139
MDL Number:
MFCD06800715
IUPAC Name:
2-ethyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid;hydrochloride
InChI:
InChI=1S/C12H15NO2.ClH/c1-2-13-8-10-6-4-3-5-9(10)7-11(13)12(14)15;/h3-6,11H,2,7-8H2,1H3,(H,14,15);1H
InChI Key:
NOVXIEHCYMHMLN-UHFFFAOYSA-N
SMILES:
CCN1Cc2ccccc2CC1C(=O)O.Cl
Properties
Complexity:
242  
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:
2  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties