Basic information
- CAS
13256-78-5- Standard SMILES
CCCNC(=O)Nc1cccc2ccccc12- InChIKey
HMZYFFODLAXNRS-UHFFFAOYSA-N- Molecular formula
- C14H16N2O
- Average molar mass
- 228.29 g/mol
- Monoisotopic mass
- 228.12626314
Names & identifiers
- Preferred name
- 1-(1-Naphthyl)-3-propylurea
- IUPAC
- 1-naphthalen-1-yl-3-propylurea
- English name
- 1-(1-Naphthyl)-3-propylurea
- Molecular formula
- C14H16N2O
- Molecular weight
- 228.29
Names & synonyms
13256-78-51-(1-naphthyl)-3-propylureaRefChem:419928653-477-81-(naphthalen-1-yl)-3-propylureaN-(1-naphthyl)-N'-propylureaCHEMBL3661398SCHEMBL12196197BDBM129320AKOS024334219US8815951, 253Urea, N-1-naphthalenyl-N'-propyl-
Database identifiers
- CAS
13256-78-5- PubChem CID
- 5129202
- ChEMBL
CHEMBL3661398- EC Number
- 653-477-8
- Nikkaji
- J3.805.419H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- Melting point
- 191 · 191-192 °C
- Boiling point
- 370.1 · 370.1±15.0 °C(Predicted)
- Density
- 1.15 · 1.150±0.06 g/cm3(Predicted)
- pka
- 14.06 · 14.06±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications 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
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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