Basic information
- 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 properties
- 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
- SMILES
- N1(C)CCC(O)C1
- CAS DataBase Reference
- 13220 · 13220-33-2(CAS DataBase Reference)
- FDA UNII
- 2 AL7PQ7 · CGW2AL7PQ7
- NIST Chemistry Reference
- 1 · 1-Methyl-3-pyrrolidinol(13220-33-2)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227-H315-H319-H335
- Precautionary statements
- 210 e-P261-P280a-P305+P351+P338-P405-P501a · P210e-P261-P280a-P305+P351+P338-P405-P501a
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- WGK Germany
- 3 · 3
- HS Code
- 29339900 · 29339900
- Storage Class
- 10 · 10 - Combustible liquids
- REACH Registrations
- Active
Safety & regulation
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
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H227-H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P210e-P261-P280a-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses1-Methyl-3-pyrrolidinol (cas# 13220-33-2) is a compound useful in organic synthesis.
Upstream & downstream products
Upstream raw materials
Suppliers50 total
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Related reactions
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