Home Carboxys trans-3-(Benzylamino)cyclobutanecarboxylic acid compound with 2,2,2-trifluoroacetic acid (1:1)

trans-3-(Benzylamino)cyclobutanecarboxylic acid compound with 2,2,2-trifluoroacetic acid (1:1)

CAS No.:
1523617-97-1
Catalog Number:
AG00IKNI
Molecular Formula:
C14H16F3NO4
Molecular Weight:
319.2763
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Product Description
Catalog Number:
AG00IKNI
Chemical Name:
trans-3-(Benzylamino)cyclobutanecarboxylic acid compound with 2,2,2-trifluoroacetic acid (1:1)
CAS Number:
1523617-97-1
Molecular Formula:
C14H16F3NO4
Molecular Weight:
319.2763
IUPAC Name:
3-(benzylamino)cyclobutane-1-carboxylic acid;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C12H15NO2.C2HF3O2/c14-12(15)10-6-11(7-10)13-8-9-4-2-1-3-5-9;3-2(4,5)1(6)7/h1-5,10-11,13H,6-8H2,(H,14,15);(H,6,7)
InChI Key:
HMMPJTLENADFTA-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.OC(=O)[C@@H]1C[C@H](C1)NCc1ccccc1
Properties
Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.103g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
319.28g/mol
Monoisotopic Mass:
319.103g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties