Basic information
- CAS
13010-07-6- Standard SMILES
CCCN(N=O)C(N)=N[N+](=O)[O-]- InChIKey
PVVCHFOAZOVDRK-UHFFFAOYSA-N- Molecular formula
- C4H9N5O3
- Average molar mass
- 175.15 g/mol
- Monoisotopic mass
- 175.07053917
Overview
See also: N'-nitro-N-nitroso-N-propylguanidine (preferred).
Names & identifiers
- Preferred name
- CID 25591
- IUPAC
- 2-nitro-1-nitroso-1-propylguanidine
- English name
- N'-Nitro-N-nitroso-N-propylguanidine
- Molecular formula
- C4H9N5O3
- Molecular weight
- 175.15
Names & synonyms
SCHEMBL11478654CID 25591PNNGNSC-33674NPROPYLNNITRONITROSOGUANIDINENPROPYLNNITROSONNITROGUANIDINEpropyl-N'-nitro-N-nitrosoguanidine1-PROPYL-3-NITRO-1-NITROSOGUANIDINE3-nitro-1-nitroso-1-propylguanidine3-nitro-1-nitroso-1-propyl-guanidinN-propyl-N-nitro-N-nitrosoguanidinen-nitroso-n’-nitro-n-propylguanidine
Database identifiers
- CAS
13010-07-6- PubChem CID
- 25591
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Melting point
- 108 · 108-110 °C (dec.)(lit.)
- Boiling point
- 306.42 °C · 306.42°C (rough estimate)
- Density
- 1.5201 · 1.5201 (rough estimate)
- refractive index
- 1.8 · 1.8000 (estimate)
- pka
- 2.78 · 2.78±0.50(Predicted)
- FDA UNII
- 1 IV3LJW4DY · 1IV3LJW4DY
- EPA Substance Registry System
- N'-Nitro-N-nitroso-N-propylguanidine (13010-07-6)
- Symbol(GHS)
- 2 · GHS02,GHS08,GHS06
- Signal word
- Danger
- Hazard statements
- 350 · H350-H331-H311-H319-H228-H335-H315-H301
- Precautionary statements
- 210 · P210-P240-P241-P280-P370+P378-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P361-P363-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- F,T
- Risk Statements
- 45 · 45-46-11-23/24/25-36/37/38
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- rtecs
- MF4643000
- ridadr
- UN 1325 4.1/PG 2
- risk_code
- 45-46-11-23/24/25-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS08,GHS06
- hazard_code
- F,T
- safety_code
- 53-16-22-36/37/39-45
- hazard_class
- 4.1
- packing_group
- III
- Hazard statements
- H350-H331-H311-H319-H228-H335-H315-H301
- Precautionary statements
- P210-P240-P241-P280-P370+P378-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P361-P363-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
UsesA N-nitroso compound with mutagenicity effects.
Suppliers4 total
凯试(上海)科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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