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Home Nitros Benzenamine, N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)-

Benzenamine, N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)-

CAS No.:
26399-36-0
Catalog Number:
AG002T13
Molecular Formula:
C14H16F3N3O4
Molecular Weight:
347.2897
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Product Description
Catalog Number:
AG002T13
Chemical Name:
Benzenamine, N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)-
CAS Number:
26399-36-0
Molecular Formula:
C14H16F3N3O4
Molecular Weight:
347.2897
MDL Number:
MFCD00055480
IUPAC Name:
N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline
InChI:
InChI=1S/C14H16F3N3O4/c1-2-5-18(8-9-3-4-9)13-11(19(21)22)6-10(14(15,16)17)7-12(13)20(23)24/h6-7,9H,2-5,8H2,1H3
InChI Key:
ITVQAKZNYJEWKS-UHFFFAOYSA-N
SMILES:
CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC1CC1
EC Number:
247-656-6
UNII:
36W2L722UX
Properties
Complexity:
449  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.109g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.294g/mol
Monoisotopic Mass:
347.109g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2  
Literature
Title Journal
Dinitroaniline activity in Toxoplasma gondii expressing wild-type or mutant alpha-tubulin. Antimicrobial agents and chemotherapy 20100401
In vitro anticryptosporidial activity of dinitroaniline herbicides. FEMS microbiology letters 19960301
Properties