Basic information
- CAS
760-56-5- Standard SMILES
C=CCN(N=O)C(N)=O- InChIKey
WBBDVRPSJSJSPC-UHFFFAOYSA-N- Molecular formula
- C4H7N3O2
- Average molar mass
- 129.12 g/mol
- Monoisotopic mass
- 129.05382648
Names & identifiers
- Preferred name
- 1-Allyl-1-nitrosourea
- IUPAC
- 1-nitroso-1-prop-2-enylurea
- English name
- 1-Allyl-1-nitrosourea
- Molecular formula
- C4H7N3O2
- Molecular weight
- 129.12
Names & synonyms
1-Allyl-1-nitrosoureaAllylnitrosoureaN-Allyl-N-nitrosourea760-56-5Urea, 1-allyl-1-nitroso-Urea, N-nitroso-N-2-propenyl-1-nitroso-1-prop-2-en-1-ylureaLUN8K7WG6JNSC-48389N-Nitroso-N-2-propenylureaCCRIS 3917urea, n-nitroso-n-2-propen-1-yl-
Show more names
N-Nitroso-N-allyl-urea
NSC 48389BRN 1764887NSC48389UNII-LUN8K7WG6JSCHEMBL2731086DTXSID3020049N-Nitroso-N-(prop-2-en-1-yl)ureaAKOS006342039
Database identifiers
- CAS
760-56-5- PubChem CID
- 96019
- DTXSID
DTXSID3020049- UNII
- LUN8K7WG6J
- Nikkaji
- J850H
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 75.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Melting point
- 79.2 °C · 79.2 °C(Solv: water (7732-18-5))
- Boiling point
- 239.15 °C · 239.15°C (rough estimate)
- Density
- 1.3936 · 1.3936 (rough estimate)
- refractive index
- 1.57 · 1.5700 (estimate)
- pka
- 12.25 · 12.25±0.50(Predicted)
- FDA UNII
- 8 K7WG6J · LUN8K7WG6J
- Toxicity
- 25 mg/plate · mma-sat 25 mg/plate TCMUE9 1,13,84
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
- Toxicity
- mma-sat 25 mg/plate TCMUE9 1,13,84
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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