Home Other Building Blocks 1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine

1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine

CAS No.:
789429-61-4
Catalog Number:
AG01A2VE
Molecular Formula:
C9H11F3N2
Molecular Weight:
204.1922
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Product Description
Catalog Number:
AG01A2VE
Chemical Name:
1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CAS Number:
789429-61-4
Molecular Formula:
C9H11F3N2
Molecular Weight:
204.1922
MDL Number:
MFCD12190296
IUPAC Name:
1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
InChI:
InChI=1S/C9H11F3N2/c10-9(11,12)7-3-1-2-6(4-7)8(14)5-13/h1-4,8H,5,13-14H2
InChI Key:
PZUVTQYOKUMPDY-UHFFFAOYSA-N
SMILES:
NCC(c1cccc(c1)C(F)(F)F)N
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.087g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
204.196g/mol
Monoisotopic Mass:
204.087g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties