N'-(1-Hydroxybutan-2-yl)-N-naphthalen-1-ylcarbamimidic acid
Basic information
- CAS
100957-91-3- Standard SMILES
CCC(CO)NC(=O)Nc1cccc2ccccc12- InChIKey
DVNVWLNMDUURTB-UHFFFAOYSA-N- Molecular formula
- C15H18N2O2
- Average molar mass
- 258.32 g/mol
- Monoisotopic mass
- 258.13682782
Names & identifiers
- Preferred name
- N'-(1-Hydroxybutan-2-yl)-N-naphthalen-1-ylcarbamimidic acid
- IUPAC
- 1-(1-hydroxybutan-2-yl)-3-naphthalen-1-ylurea
- English name
- 1-(1-Hydroxymethylpropyl)-3-(1-naphthyl)urea
- Molecular formula
- C15H18N2O2
- Molecular weight
- 258.32
Names & synonyms
DTXSID80905862N'-(1-Hydroxybutan-2-yl)-N-naphthalen-1-ylcarbamimidic acidRefChem:1090121DTXCID401334963100957-91-33-(1-HYDROXYBUTAN-2-YL)-1-(NAPHTHALEN-1-YL)UREA1-(1-Hydroxymethylpropyl)-3-(1-naphthyl)ureaBRN 33322711-(1-Hydroxy-2-butyl)-3-(1-naphthyl)ureaUrea, 1-(1-hydroxy-2-butyl)-3-(1-naphthyl)-NSC1600394-12-00-03079 (Beilstein Handbook Reference)
Show more names
Urea, N-[1-(hydroxymethyl)propyl]-N'-1-naphthalenyl-
AKOS009115852NSC-1600391-(1-HYDROXYMETHYL-PROPYL)-3-NAPHTHALEN-1-YL-UREAN'-(1-Hydroxybutan-2-yl)-N-(naphthalen-1-yl)carbamimidic acid
Database identifiers
- CAS
100957-91-3- PubChem CID
- 293444
- DTXSID
DTXSID80905862- EC Number
- 153-262-4
- Nikkaji
- J93.237J
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 296
Physicochemical properties
- Boiling point
- 435.4 · 435.4±37.0 °C(Predicted)
- Density
- 1.213 · 1.213±0.06 g/cm3(Predicted)
- pka
- 13.13 · 13.13±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335-H410
- Precautionary statements
- 261 · P261-P273-P281-P302+P352-P304+P340-P305+P351+P338
- RIDADR
- 3077 · UN3077
- HazardClass
- 9 · 9
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
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, P391, 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
- ridadr
- UN3077
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_class
- 9
- Hazard statements
- H302-H315-H319-H335-H410
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P261-P273-P281-P302+P352-P304+P340-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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