Home Other Building Blocks CYCLOPROPYL-[4-(2,2,2-TRIFLUORO-ETHOXY)-BENZYL]-AMINE

CYCLOPROPYL-[4-(2,2,2-TRIFLUORO-ETHOXY)-BENZYL]-AMINE

CAS No.:
1095127-74-4
Catalog Number:
AG01DXAR
Molecular Formula:
C12H14F3NO
Molecular Weight:
245.2409
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Product Description
Catalog Number:
AG01DXAR
Chemical Name:
CYCLOPROPYL-[4-(2,2,2-TRIFLUORO-ETHOXY)-BENZYL]-AMINE
CAS Number:
1095127-74-4
Molecular Formula:
C12H14F3NO
Molecular Weight:
245.2409
MDL Number:
MFCD11629940
IUPAC Name:
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopropanamine
InChI:
InChI=1S/C12H14F3NO/c13-12(14,15)8-17-11-5-1-9(2-6-11)7-16-10-3-4-10/h1-2,5-6,10,16H,3-4,7-8H2
InChI Key:
HTJWWDQOWVBEHP-UHFFFAOYSA-N
SMILES:
FC(COc1ccc(cc1)CNC1CC1)(F)F
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.103g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
245.245g/mol
Monoisotopic Mass:
245.103g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties