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Home Carboxys 1-benzyl-4-phenyl-4-piperidinecarboxylic acid hydrate

1-benzyl-4-phenyl-4-piperidinecarboxylic acid hydrate

CAS No.:
1609400-83-0
Catalog Number:
AG00J0XI
Molecular Formula:
C19H23NO3
Molecular Weight:
313.3908
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG00J0XI
Chemical Name:
1-benzyl-4-phenyl-4-piperidinecarboxylic acid hydrate
CAS Number:
1609400-83-0
Molecular Formula:
C19H23NO3
Molecular Weight:
313.3908
MDL Number:
MFCD00071791
IUPAC Name:
1-benzyl-4-phenylpiperidine-4-carboxylic acid;hydrate
InChI:
InChI=1S/C19H21NO2.H2O/c21-18(22)19(17-9-5-2-6-10-17)11-13-20(14-12-19)15-16-7-3-1-4-8-16;/h1-10H,11-15H2,(H,21,22);1H2
InChI Key:
GHXYMEKYDWLYGS-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCN(CC1)Cc1ccccc1)c1ccccc1.O
Properties
Complexity:
362  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.168g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
313.397g/mol
Monoisotopic Mass:
313.168g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties