alpha-Methyl-1-pyrrolidineethanol
Completing data — refresh the page later to see the latest
Basic information
- CAS
42122-41-8- Standard SMILES
CC(O)CN1CCCC1- InChIKey
BPYANEJZLUMJNA-UHFFFAOYSA-N- Molecular formula
- C7H15NO
- Average molar mass
- 129.2 g/mol
- Monoisotopic mass
- 129.1153641
Names & identifiers
- Preferred name
- alpha-Methyl-1-pyrrolidineethanol
- IUPAC
- 1-pyrrolidin-1-ylpropan-2-ol
- English name
- alpha-methylpyrrolidine-1-ethanol
- Molecular formula
- C7H15NO
- Molecular weight
- 129.2001
Names & synonyms
alpha-Methyl-1-pyrrolidineethanolDTXSID801307273RefChem:555817DTXCID10173721942122-41-81-(pyrrolidin-1-yl)propan-2-olalpha-Methylpyrrolidine-1-ethanol1-pyrrolidin-1-ylpropan-2-ol1-(Pyrrolidin-1-yl)-propan-2-olMFCD000208541-pyrrolidinylpropan-2-ol1-PYRROLIDINO-2-PROPANOL
Show more names
α-Methyl-1-pyrrolidineethanol1-Pyrrolidineethanol, α-methyl-
EINECS 255-665-1NSC1639792-hydroxypropyl pyrrolidineSCHEMBL650351-methyl-2-pyrrolidylethanolSCHEMBL1374432SCHEMBL1504812SCHEMBL2247946
Database identifiers
- CAS
42122-41-8- PubChem CID
- 99015
- DTXSID
DTXSID801307273- EC Number
- 255-665-1
- Nikkaji
- J278.334G
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 79
Physicochemical properties
- Boiling point
- 116 · 116-117 °C(Press: 110 Torr)
- Density
- 0.98 · 0.980±0.06 g/cm3(Predicted)
- pka
- 14.81 · 14.81±0.20(Predicted)
- InChI
- InChI=1S/C7H15NO/c1-7(9)6-8-4-2-3-5-8/h7,9H,2-6H2,1H3
- InChIKey
- BPYANEJZLUMJNA-UHFFFAOYSA-N
- SMILES
- C(N1CCCC1)C(O)C
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H319
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)；Eye Irrit. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H319
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
Related reactions
1 records
Compound notes
Loading…