[(E)-1-(2,3,4,5,6,7-hexahydro-1H-naphthalen-4a-yl)ethylideneamino]urea
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Basic information
- CAS
3513-25-5- Standard SMILES
C/C(=N\NC(N)=O)C12CCCC=C1CCCC2- InChIKey
ICOVNGHKWQHBFJ-XNTDXEJSSA-N- Molecular formula
- C13H21N3O
- Average molar mass
- 235.33 g/mol
- Monoisotopic mass
- 235.1684623
Names & identifiers
- Preferred name
- [(E)-1-(2,3,4,5,6,7-hexahydro-1H-naphthalen-4a-yl)ethylideneamino]urea
- IUPAC
- [(E)-1-(2,3,4,5,6,7-hexahydro-1H-naphthalen-4a-yl)ethylideneamino]urea
- English name
- [1-(3,4,5,6,7,8-hexahydro-2H-naphthalen-4a-yl)ethylideneamino]urea
- Molecular formula
- C13H21N3O
- Molecular weight
- 235.33
Names & synonyms
NSC4024893513-25-5DTXSID90430418NSC-402489[1-(3,4,5,6,7,8-hexahydro-2H-naphthalen-4a-yl)ethylideneamino]urea(2E)-2-[1-(1,3,4,5,6,7-Hexahydronaphthalen-4a(2H)-yl)ethylidene]hydrazine-1-carboxamide1-(1,3,4,5,6,7-hexahydro-2H-[4a]naphthyl)-ethanone semicarbazone
Database identifiers
- CAS
3513-25-5- PubChem CID
- 9569503
- DTXSID
DTXSID90430418
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 373
Physicochemical properties
- Density
- 1.22 · 1.220±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.238 · 12.238±0.46(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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