2-Nitroamino-2-imidazoline
Completing data — refresh the page later to see the latest
Basic information
- CAS
5465-96-3- Standard SMILES
O=[N+]([O-])NC1=NCCN1- InChIKey
DJZWNSRUEJSEEB-UHFFFAOYSA-N- Molecular formula
- C3H6N4O2
- Average molar mass
- 130.11 g/mol
- Monoisotopic mass
- 130.04907543
Names & identifiers
- Preferred name
- 2-Nitroamino-2-imidazoline
- IUPAC
- N-(4,5-dihydro-1H-imidazol-2-yl)nitramide
- English name
- 2-Nitroaminoimidazoline
- Molecular formula
- C3H6N4O2
- Molecular weight
- 130.11
Names & synonyms
2-Nitroamino-2-imidazolineRefChem:477177611-182-12-nitroaminoimidazoline5465-96-3N-(4,5-dihydro-1H-imidazol-2-yl)nitramideNSC 25961NSC 65424NSC 917922-nitroiminoimidazolidineN-NitroiminoimidazolidineImidacloprid EP Impurity B
Show more names
N-NITROIMINO IMIDAZOLIDINEN-Nitroimidazolidin-2-imineSelonsertib Impurity 12-(NITROIMINO)IMIDAZOLIDINEN-nitroimino imidazole(NNII)2-NITRO-1-IMINOIMIDAZOLIDINE
1H-Imidazol-2-amine, 4,5-dihydro-N-nitro-nitroiminoimidazolidineImidacloprid Impurity 82-nitramino-2-imidazolineNCIOpen2_0013362-(nitramino)-2-imidazolineSCHEMBL10655183DTXSID40328417
Database identifiers
- CAS
5465-96-3- PubChem CID
- 410042
- DTXSID
DTXSID40328417- EC Number
- 611-182-1
Properties
Computed structural propertiesFilling in
- XLogP
- -0.8
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- Melting point
- 220 °C · 220 °C
- Boiling point
- 255.1 · 255.1±23.0 °C(Predicted)
- Density
- 1.81 · 1.81±0.1 g/cm3(Predicted)
- storage temp.
- Amber Vial, Refrigerator
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 8.55 · 8.55±0.20(Predicted)
- color
- Pale Yellow
- InChI
- InChI=1S/C3H6N4O2/c8-7(9)6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)
- InChIKey
- DJZWNSRUEJSEEB-UHFFFAOYSA-N
- SMILES
- C1(N[N+]([O-])=O)NCCN=1
- CAS DataBase Reference
- 5465 · 5465-96-3(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 30 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933.29.9000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Uses2-Nitroamino-2-imidazoline is a neonicotinoid substituents that forms water bridge at nicotinic acetylcholine receptor.
Upstream & downstream products
Upstream raw materials
Related reactions
18 records
Compound notes
Loading…