Basic information
- CAS
365276-81-9- Standard SMILES
CC(=NCc1ccccc1)c1ccccc1O- InChIKey
DNSDMSAATMZYNW-UHFFFAOYSA-N- Molecular formula
- C15H15NO
- Average molar mass
- 225.28 g/mol
- Monoisotopic mass
- 225.1153641
Overview
structure
Names & identifiers
- Preferred name
- Oletimol
- IUPAC
- 2-(N-benzyl-C-methylcarbonimidoyl)phenol
- English name
- Oletimol
- Molecular formula
- C15H15NO
- Molecular weight
- 225.29
Names & synonyms
Oletimol2-(1-(Benzylimino)ethyl)phenol5879-67-4Bakrineo-(N-Benzylacetimidoyl)phenolOletimolumOletimol [INN]Oletimol [INN:BAN]DTXSID3046247Oletimolum [INN-Latin]00RY4LUP2ZNSC-240425
Show more names
2-[1-(Benzylimino)ethyl]phenolN-Benzyl-1-(2-hydroxyphenyl)ethaneimineALPHA-BENZYLIMINO-ALPHA-METHYL-O-CRESOLPhenol, 2-[1-[(phenylmethyl)imino]ethyl]-
2-(N-Benzylacetimidoyl)phenolPhenol, o-(N-benzylacetimidoyl)-NSC 240425365276-81-9DTXCID1026247Phenol, 2-(1-((phenylmethyl)imino)ethyl)-2-((1E)-1-((Phenylmethyl)imino)ethyl)phenolPhenol, 2-((1E)-1-((phenylmethyl)imino)ethyl)-
Database identifiers
- CAS
365276-81-9、5879-67-4- PubChem CID
- 71840
- DTXSID
DTXSID3046247- ChEMBL
CHEMBL2142705、CHEMBL3989813- UNII
- 00RY4LUP2Z
- EC Number
- 667-477-0
- Nikkaji
- J2.364.503C、J3.783.078J、J8.303H
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Melting point
- 116 °C · 116 °C(Solvent: Ethanol)
- Boiling point
- 343.238 · 343.238±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.033 · 1.033±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.086 · 12.086±0.50(predicted)
- FDA UNII
- 0 RY4LUP2Z · 00RY4LUP2Z
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 335 · H335-H400-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P273-P391-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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H335-H400-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P273-P391-P501
Chemistry & industry
Suppliers3 total
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
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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