Home Other Building Blocks 1,1,1-trifluoro-4-phenylbutan-2-amine hydrochloride

1,1,1-trifluoro-4-phenylbutan-2-amine hydrochloride

CAS No.:
1432681-60-1
Catalog Number:
AG01A56K
Molecular Formula:
C10H13ClF3N
Molecular Weight:
239.6651
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Product Description
Catalog Number:
AG01A56K
Chemical Name:
1,1,1-trifluoro-4-phenylbutan-2-amine hydrochloride
CAS Number:
1432681-60-1
Molecular Formula:
C10H13ClF3N
Molecular Weight:
239.6651
MDL Number:
MFCD24369248
IUPAC Name:
1,1,1-trifluoro-4-phenylbutan-2-amine;hydrochloride
InChI:
InChI=1S/C10H12F3N.ClH/c11-10(12,13)9(14)7-6-8-4-2-1-3-5-8;/h1-5,9H,6-7,14H2;1H
InChI Key:
VESQZHHAKUAZBP-UHFFFAOYSA-N
SMILES:
NC(C(F)(F)F)CCc1ccccc1.Cl
Properties
Complexity:
161  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.069g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
239.666g/mol
Monoisotopic Mass:
239.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties