Home Aminos 3-(benzylamino)-1,1,1-trifluorobutan-2-ol hydrochloride

3-(benzylamino)-1,1,1-trifluorobutan-2-ol hydrochloride

CAS No.:
2044834-85-5
Catalog Number:
AG01BXKS
Molecular Formula:
C11H15ClF3NO
Molecular Weight:
269.6911
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Product Description
Catalog Number:
AG01BXKS
Chemical Name:
3-(benzylamino)-1,1,1-trifluorobutan-2-ol hydrochloride
CAS Number:
2044834-85-5
Molecular Formula:
C11H15ClF3NO
Molecular Weight:
269.6911
MDL Number:
MFCD30487853
IUPAC Name:
3-(benzylamino)-1,1,1-trifluorobutan-2-ol;hydrochloride
InChI:
InChI=1S/C11H14F3NO.ClH/c1-8(10(16)11(12,13)14)15-7-9-5-3-2-4-6-9;/h2-6,8,10,15-16H,7H2,1H3;1H
InChI Key:
IHSNIMALZHJFAL-UHFFFAOYSA-N
SMILES:
CC(C(C(F)(F)F)O)NCc1ccccc1.Cl
Properties
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.079g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
269.692g/mol
Monoisotopic Mass:
269.079g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Properties