1-Methyl-3-pyrrolidinol
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Basic information
- CAS
13220-33-2- Standard SMILES
CN1CCC(O)C1- InChIKey
FLVFPAIGVBQGET-UHFFFAOYSA-N- Molecular formula
- C5H11NO
- Average molar mass
- 101.15 g/mol
- Monoisotopic mass
- 101.08406397
Names & identifiers
- Preferred name
- 1-Methyl-3-pyrrolidinol
- IUPAC
- 1-methylpyrrolidin-3-ol
- English name
- 1-Methyl-3-pyrrolidinol
- Molecular formula
- C5H11NO
- Molecular weight
- 101.15
Names & synonyms
1-Methyl-3-pyrrolidinol13220-33-21-Methylpyrrolidin-3-ol3-Hydroxy-1-methylpyrrolidineN-Methyl-3-pyrrolidinol3-Pyrrolidinol, 1-methyl-3-hydroxy-n-methylpyrrolidineUNII-CGW2AL7PQ7CGW2AL7PQ7N-METHYL-3-HYDROXYPYRROLIDINEEINECS 236-189-3NSC 89279
Show more names
1-METHYL-PYRROLIDIN-3-OL3-Hydroxy-1-methyLN-Methyl-3-hydroxy-1-Methyl-3-pyrrolidiN-methyl-3-pyrrolitolN-Methyl-pyrrolidin-3-ol
NSC-892791-METHYL-3-HYDROXYPYRROLIDINEDTXSID108643771Methylpyrrolidin3olRefChem:762883Hydroxy1methylpyrrolidineDTXCID40812902FLVFPAIGVBQGET-UHFFFAOYSA-N
Database identifiers
- CAS
13220-33-2- PubChem CID
- 93074
- DTXSID
DTXSID10864377- ChEMBL
CHEMBL4752499- UNII
- CGW2AL7PQ7
- EC Number
- 236-189-3
- Nikkaji
- J149.939D
Properties
Computed structural propertiesFilling in
- XLogP
- -0.2
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 65.1
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Amino Alcohols, Other
Physical DescriptionColorless or pale yellow liquid; [Alfa Aesar MSDS]
Physicochemical properties
- Boiling point
- 50 · 50-52 °C1 mm Hg(lit.)
- Density
- 0.921 g/mL · 0.921 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.464(lit.)
- Flash point
- 159 °F · 159 °F
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- pka
- 14.95 · 14.95±0.20(Predicted)
- color
- Colourless
- InChI
- InChI=1S/C5H11NO/c1-6-3-2-5(7)4-6/h5,7H,2-4H2,1H3
- InChIKey
- FLVFPAIGVBQGET-UHFFFAOYSA-N
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
This chemical does not meet GHS hazard criteria for 1.9% (1 of 53) of reports.
Warning
H315 (96.2%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 53 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Status: Active Update: 18-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24786
3-Pyrrolidinol, 1-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (96.2%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 29339900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
Chemistry & industry
Applications
Uses1-Methyl-3-pyrrolidinol (cas# 13220-33-2) is a compound useful in organic synthesis.
Upstream & downstream products
Upstream raw materials
Related reactions
124 records
Compound notes
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