Basic information
- CAS
858811-10-6- Standard SMILES
CNCC(O)c1ccc(O)c(C)c1- InChIKey
ODYQPNNFGOHQHU-UHFFFAOYSA-N- Molecular formula
- C10H15NO2
- Average molar mass
- 181.23 g/mol
- Monoisotopic mass
- 181.11027872
Names & identifiers
- Preferred name
- 4-(1-Hydroxy-2-(methylamino)ethyl)-2-methylphenol
- IUPAC
- 4-[1-hydroxy-2-(methylamino)ethyl]-2-methylphenol
Names & synonyms
858811-10-64-(1-hydroxy-2-(methylamino)ethyl)-2-methylphenol4-[1-hydroxy-2-(methylamino)ethyl]-2-methylphenolRefChem:510317996-828-3SCHEMBL14456692IJB81110AKOS023430404EN300-1696899Z1262591397
Database identifiers
- CAS
858811-10-6- PubChem CID
- 58905290
- EC Number
- 996-828-3
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 152
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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