Home Other Building Blocks 4-[3-(trifluoromethyl)phenyl]oxan-4-amine hydrochloride

4-[3-(trifluoromethyl)phenyl]oxan-4-amine hydrochloride

CAS No.:
1380300-52-6
Catalog Number:
AG01BF0I
Molecular Formula:
C12H15ClF3NO
Molecular Weight:
281.7018
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Product Description
Catalog Number:
AG01BF0I
Chemical Name:
4-[3-(trifluoromethyl)phenyl]oxan-4-amine hydrochloride
CAS Number:
1380300-52-6
Molecular Formula:
C12H15ClF3NO
Molecular Weight:
281.7018
MDL Number:
MFCD22375734
IUPAC Name:
4-[3-(trifluoromethyl)phenyl]oxan-4-amine;hydrochloride
InChI:
InChI=1S/C12H14F3NO.ClH/c13-12(14,15)10-3-1-2-9(8-10)11(16)4-6-17-7-5-11;/h1-3,8H,4-7,16H2;1H
InChI Key:
JCRLMHIHKSMGAN-UHFFFAOYSA-N
SMILES:
NC1(CCOCC1)c1cccc(c1)C(F)(F)F.Cl
Properties
Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.079g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
281.703g/mol
Monoisotopic Mass:
281.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties