Basic information
- CAS
101517-06-0- Standard SMILES
CCCCCCCCCCCCN=C(N)N[N+](=O)[O-]- InChIKey
WSWZXMIHHIYAMY-UHFFFAOYSA-N- Molecular formula
- C13H28N4O2
- Average molar mass
- 272.39 g/mol
- Monoisotopic mass
- 272.22122615
Names & identifiers
- Preferred name
- Guanidine, 3-dodecyl-1-nitro-
- IUPAC
- 2-dodecyl-1-nitroguanidine
- English name
- 2-dodecyl-1-nitro-guanidine
- Molecular formula
- C13H28N4O2
- Molecular weight
- 272.39
Names & synonyms
GUANIDINE, 3-DODECYL-1-NITRO-101517-06-0N(sup 1)-Dodecyl-N(sup 3)-nitroguanidineDTXSID30143979RefChem:346982DTXCID80664702-dodecyl-1-nitroguanidine2-DODECYL-1-NITRO-GUANIDINEN''-DODECYL-N-NITROGUANIDINEGuanidine, N-dodecyl-N'-nitro- (9CI)
Database identifiers
- CAS
101517-06-0- PubChem CID
- 58488
- DTXSID
DTXSID30143979- Nikkaji
- J78.492C
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Boiling point
- 365.5 · 365.5±25.0 °C(Predicted)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- pka
- 3.85 · 3.85±0.50(Predicted)
Chemistry & industry
Suppliers1 total
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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