2-Cyclohexylbenzenamine
Basic information
- CAS
4806-81-9- Standard SMILES
Nc1ccccc1C1CCCCC1- InChIKey
CDEGDZUMZIYNRD-UHFFFAOYSA-N- Molecular formula
- C12H17N
- Average molar mass
- 175.27 g/mol
- Monoisotopic mass
- 175.13609954
Names & identifiers
- Preferred name
- 2-Cyclohexylbenzenamine
- IUPAC
- 2-cyclohexylaniline
- English name
- 2-Cyclohexylaniline
- Molecular formula
- C12H17N
- Molecular weight
- 175.27
Names & synonyms
2-Cyclohexylaniline4806-81-92-CyclohexylbenzenamineDTXSID501313992RefChem:470941DTXCID80873133977-277-8Benzenamine, 2-cyclohexyl-o-CyclohexylanilineMFCD00130037Aniline, o-cyclohexyl-2-cyclohexylphenylamine
Show more names
2-(Cyclohexyl)anilineSCHEMBL570948SCHEMBL3690036SCHEMBL7398897SCHEMBL18613946AKOS015946940CS-35639SY419319
Database identifiers
- CAS
4806-81-9- PubChem CID
- 407899
- DTXSID
DTXSID501313992- EC Number
- 977-277-8
- Nikkaji
- J111.188D
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Melting point
- 13 °C · 13 °C
- Boiling point
- 106 °C · 106 °C
- Density
- 1.013 · 1.013±0.06 g/cm3(Predicted)
- pka
- 4.34 · 4.34±0.10(Predicted)
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%)
Suppliers
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Related reactions
6 records
Compound notes
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