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3-Nitrophenylguanidine Nitrate

CAT: 0572-TRC-N503765-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-N503765-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
142992-99-2
Synonyms
Guanidine, N-(2-methyl-5-nitrophenyl)-, nitrate (1:1); Guanidine, (2-methyl-5-nitrophenyl)-, mononitrate (9CI); (2-Methyl-5-nitrophenyl)guanidine nitrate; N-(2-Methyl-5-nitrophenyl)guanidine nitrate
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
NC(=N)Nc1cccc(c1)[N+](=O)[O-]
Molecular Formula
C7 H8 N4 O2
Molecular Weight
180.16
InChI
InChI=1S/C7H8N4O2/c8-7(9)10-5-2-1-3-6(4-5)11(12)13/h1-4H,(H4,8,9,10)
Additionnal Information
IUPAC name: 1-(3-nitrophenyl)guanidine
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3-Nitrophenylguanidine Nitrate
CAS Number142992-99-2
PubChem CID21806670
IUPAC Namenitric acid;2-(3-nitrophenyl)guanidine
Molecular FormulaC7H9N5O5
Molecular Weight243.18
Topological Polar Surface Area176
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity244
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])N=C(N)N.[N+](=O)(O)[O-]
InChI
InChI=1S/C7H8N4O2.HNO3/c8-7(9)10-5-2-1-3-6(4-5)11(12)13;2-1(3)4/h1-4H,(H4,8,9,10);(H,2,3,4)
InChIKey
VBYYPCNNGNGURO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Nitrophenylguanidine Nitrate
CAS: 142992-99-2
CID: 21806670
Formula: C7H9N5O5
MW: 243.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight243.18
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass243.06036840
Monoisotopic Mass243.06036840
Topological Polar Surface Area176 Ų
Heavy Atom Count17
Formal Charge0
Complexity244
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes