Home Aminos 5-aminopentan-2-one, trifluoroacetic acid

5-aminopentan-2-one, trifluoroacetic acid

CAS No.:
1803597-05-8
Catalog Number:
AG01AM2Q
Molecular Formula:
C7H12F3NO3
Molecular Weight:
215.1703
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Product Description
Catalog Number:
AG01AM2Q
Chemical Name:
5-aminopentan-2-one, trifluoroacetic acid
CAS Number:
1803597-05-8
Molecular Formula:
C7H12F3NO3
Molecular Weight:
215.1703
MDL Number:
MFCD28968343
IUPAC Name:
5-aminopentan-2-one;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C5H11NO.C2HF3O2/c1-5(7)3-2-4-6;3-2(4,5)1(6)7/h2-4,6H2,1H3;(H,6,7)
InChI Key:
NFCPMCYJTBCULO-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.NCCCC(=O)C
Properties
Complexity:
145  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.077g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
215.172g/mol
Monoisotopic Mass:
215.077g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties