4-[(Cyclohexylamino)methyl]phenol
Basic information
- CAS
200274-73-3- Standard SMILES
Oc1ccc(CNC2CCCCC2)cc1- InChIKey
GCSGMDJOIYTBGB-UHFFFAOYSA-N- Molecular formula
- C13H19NO
- Average molar mass
- 205.3 g/mol
- Monoisotopic mass
- 205.14666423
Names & identifiers
- Preferred name
- 4-[(Cyclohexylamino)methyl]phenol
- IUPAC
- 4-[(cyclohexylamino)methyl]phenol
Names & synonyms
4-[(cyclohexylamino)methyl]phenol200274-73-35461-17-6DTXSID203281774-((cyclohexylamino)methyl)phenolRefChem:286455DTXCID30279287887-471-3Phenol, 4-[(cyclohexylamino)methyl]-HMS1372N17p-Oxybenzyl-zyklohexylaminChemDiv2_001359
Show more names
SCHEMBL3862351CHEMBL1907099AIA27473MFCD03721695STL507799AKOS000223040CCG-114625SY186255
Database identifiers
- CAS
200274-73-3、5461-17-6- PubChem CID
- 407434
- DTXSID
DTXSID20328177- ChEMBL
CHEMBL1907099- EC Number
- 887-471-3
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 169
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, 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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