Home Aminos 2-((3,3-Dimethyl-3,4-dihydroisoquinolin-1-yl)amino)propanoic acid

2-((3,3-Dimethyl-3,4-dihydroisoquinolin-1-yl)amino)propanoic acid

CAS No.:
537049-19-7
Catalog Number:
AG00D9I2
Molecular Formula:
C14H18N2O2
Molecular Weight:
246.3049
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$129
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Product Description
Catalog Number:
AG00D9I2
Chemical Name:
2-((3,3-Dimethyl-3,4-dihydroisoquinolin-1-yl)amino)propanoic acid
CAS Number:
537049-19-7
Molecular Formula:
C14H18N2O2
Molecular Weight:
246.3049
MDL Number:
MFCD00608486
IUPAC Name:
2-[(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)amino]propanoic acid
InChI:
InChI=1S/C14H18N2O2/c1-9(13(17)18)15-12-11-7-5-4-6-10(11)8-14(2,3)16-12/h4-7,9H,8H2,1-3H3,(H,15,16)(H,17,18)
InChI Key:
ZVYICXMIPNSFIA-UHFFFAOYSA-N
SMILES:
OC(=O)C(NC1=NC(C)(C)Cc2c1cccc2)C
Properties
Complexity:
363  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.137g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
246.31g/mol
Monoisotopic Mass:
246.137g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties