2-[4-(Aminomethyl)piperidin-1-yl]-1-phenylethan-1-ol
Basic information
- CAS
1283418-76-7- Standard SMILES
NCC1CCN(CC(O)c2ccccc2)CC1- InChIKey
BTHSEKNBSJQULS-UHFFFAOYSA-N- Molecular formula
- C14H22N2O
- Average molar mass
- 234.34 g/mol
- Monoisotopic mass
- 234.17321333
Names & identifiers
- Preferred name
- 2-[4-(Aminomethyl)piperidin-1-yl]-1-phenylethan-1-ol
- IUPAC
- 2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethanol
- English name
- 2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethan-1-ol
- Molecular formula
- C14H22N2O
- Molecular weight
- 234.33728
Names & synonyms
2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethan-1-ol1283418-76-72-[4-(AMINOMETHYL)PIPERIDIN-1-YL]-1-PHENYLETHANOLIBC41876AKOS011060162EN300-71014G60640Z8718378981-Piperidineethanol, 4-(aminomethyl)-α-phenyl-
Database identifiers
- CAS
1283418-76-7- PubChem CID
- 54592604
- EC Number
- 127-271-9
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 49.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Boiling point
- 381.5 · 381.5±22.0 °C(Predicted)
- Density
- 1.071 · 1.071±0.06 g/cm3(Predicted)
- pka
- 14.19 · 14.19±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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