3-Dodecyl-1-(naphthalen-1-yl)urea
Basic information
- CAS
305849-22-3- Standard SMILES
CCCCCCCCCCCCNC(=O)Nc1cccc2ccccc12- InChIKey
VLLWHDCFZRFUKD-UHFFFAOYSA-N- Molecular formula
- C23H34N2O
- Average molar mass
- 354.5 g/mol
- Monoisotopic mass
- 354.26711371
Names & identifiers
- Preferred name
- 3-Dodecyl-1-(naphthalen-1-yl)urea
- IUPAC
- 1-dodecyl-3-naphthalen-1-ylurea
- English name
- 1-Dodecyl-3-naphthalen-1-ylurea
- Molecular formula
- C23H34N2O
- Molecular weight
- 354.53
Names & synonyms
3-dodecyl-1-(naphthalen-1-yl)urea305849-22-3N-dodecyl-N'-(1-naphthyl)ureaAKOS0244212561-Dodecyl-3-naphthalen-1-ylureaUrea, N-dodecyl-N'-1-naphthalenyl-
Database identifiers
- CAS
305849-22-3- PubChem CID
- 3700151
- EC Number
- 153-411-3
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 12
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 371
Physicochemical properties
- Boiling point
- 485.4 · 485.4±18.0 °C(Predicted)
- Density
- 1.021 · 1.021±0.06 g/cm3(Predicted)
- pka
- 13.96 · 13.96±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335-H413
- Precautionary statements
- 261 · P261-P302+P352-P304+P340-P305+P351+P338
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335-H413
- Precautionary statements
- P261-P302+P352-P304+P340-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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