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1001806-94-5 | 1,3-Propanediamine, N1,N1-dimethyl-N3-[4-nitro-2-(trifluoromethyl)phenyl]-
CAS No: 1001806-94-5 Catalog No: AG00015T MDL No:
Product Description
Catalog Number:
AG00015T
Chemical Name:
1,3-Propanediamine, N1,N1-dimethyl-N3-[4-nitro-2-(trifluoromethyl)phenyl]-
CAS Number:
1001806-94-5
Molecular Formula:
C12H16F3N3O2
Molecular Weight:
291.2695
IUPAC Name:
N',N'-dimethyl-N-[4-nitro-2-(trifluoromethyl)phenyl]propane-1,3-diamine
InChI:
InChI=1S/C12H16F3N3O2/c1-17(2)7-3-6-16-11-5-4-9(18(19)20)8-10(11)12(13,14)15/h4-5,8,16H,3,6-7H2,1-2H3
InChI Key:
FTMNTYQTMPLYPU-UHFFFAOYSA-N
SMILES:
CN(CCCNc1ccc(cc1C(F)(F)F)[N+](=O)[O-])C
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.119g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.274g/mol
Monoisotopic Mass:
291.119g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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