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Home Aminos Benzenemethanol, a-(aminomethyl)-3-(trifluoromethyl)-

Benzenemethanol, a-(aminomethyl)-3-(trifluoromethyl)-

CAS No.:
21172-28-1
Catalog Number:
AG007OWE
Molecular Formula:
C9H10F3NO
Molecular Weight:
205.1770
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Product Description
Catalog Number:
AG007OWE
Chemical Name:
Benzenemethanol, a-(aminomethyl)-3-(trifluoromethyl)-
CAS Number:
21172-28-1
Molecular Formula:
C9H10F3NO
Molecular Weight:
205.1770
MDL Number:
MFCD01664407
IUPAC Name:
2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
InChI:
InChI=1S/C9H10F3NO/c10-9(11,12)7-3-1-2-6(4-7)8(14)5-13/h1-4,8,14H,5,13H2
InChI Key:
RRBRWAPWPGAJMA-UHFFFAOYSA-N
SMILES:
NCC(c1cccc(c1)C(F)(F)F)O
Properties
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.071g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
205.18g/mol
Monoisotopic Mass:
205.071g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
Structural, mutagenic, and kinetic analysis of the binding of substrates and inhibitors of human phenylethanolamine N-methyltransferase. Journal of medicinal chemistry 20051117
Properties