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Prodiamine

CAT: 0013-GTR19202083-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202083-04Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Prodiamine
CAS Number
29091-21-2
Purity
99.39% (May vary between batches)
Smiles
[O-][N+] (C1=C (N (CCC) CCC) C ([N+] ([O-]) =O) =C (N) C (C (F) (F) F) =C1) =O
Molecular Formula
C13H17F3N4O4
Molecular Weight
350.29
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Prodiamine

Prodiamine is a C-nitro compound.

CAS Number29091-21-2
PubChem CID34469
IUPAC Name2,4-dinitro-3-N,3-N-dipropyl-6-(trifluoromethyl)benzene-1,3-diamine
Molecular FormulaC13H17F3N4O4
Molecular Weight350.29
XLogP4.2
Topological Polar Surface Area121
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity446
SMILES
CCCN(CCC)C1=C(C=C(C(=C1[N+](=O)[O-])N)C(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C13H17F3N4O4/c1-3-5-18(6-4-2)11-9(19(21)22)7-8(13(14,15)16)10(17)12(11)20(23)24/h7H,3-6,17H2,1-2H3
InChIKey
RSVPPPHXAASNOL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Prodiamine
CAS: 29091-21-2
CID: 34469
Formula: C13H17F3N4O4
MW: 350.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight350.29
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass350.12018952
Monoisotopic Mass350.12018952
Topological Polar Surface Area121 Ų
Heavy Atom Count24
Formal Charge0
Complexity446
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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