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74474-07-0 | 1,3-Propanediamine, N,N-diethyl-N'-[4-(trifluoromethyl)phenyl]-
CAS No: 74474-07-0 Catalog No: AG005BF5 MDL No:
Product Description
Catalog Number:
AG005BF5
Chemical Name:
1,3-Propanediamine, N,N-diethyl-N'-[4-(trifluoromethyl)phenyl]-
CAS Number:
74474-07-0
Molecular Formula:
C14H21F3N2
Molecular Weight:
274.3251
IUPAC Name:
N',N'-diethyl-N-[4-(trifluoromethyl)phenyl]propane-1,3-diamine
InChI:
InChI=1S/C14H21F3N2/c1-3-19(4-2)11-5-10-18-13-8-6-12(7-9-13)14(15,16)17/h6-9,18H,3-5,10-11H2,1-2H3
InChI Key:
DBOIYRMSLITBRC-UHFFFAOYSA-N
SMILES:
CCN(CCCNc1ccc(cc1)C(F)(F)F)CC
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.166g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.331g/mol
Monoisotopic Mass:
274.166g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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