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Home Carboxys 2-Methyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid

2-Methyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid

CAS No.:
54329-54-3
Catalog Number:
AG00D8EE
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$36
- +
1g
95%
In Stock USA
United States
$95
- +
5g
95%
In Stock USA
United States
$283
- +
Product Description
Catalog Number:
AG00D8EE
Chemical Name:
2-Methyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid
CAS Number:
54329-54-3
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
MDL Number:
MFCD05667936
IUPAC Name:
2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
InChI:
InChI=1S/C11H13NO2/c1-12-7-9-5-3-2-4-8(9)6-10(12)11(13)14/h2-5,10H,6-7H2,1H3,(H,13,14)
InChI Key:
SKFOSDNQLGCEHM-UHFFFAOYSA-N
SMILES:
CN1Cc2ccccc2CC1C(=O)O
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Enantioseparation of beta-methyl-substituted amino acids with cyclodextrins by capillary zone electrophoresis. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20081101
Properties