Basic information
- Standard SMILES
OC1CCNC1- InChIKey
JHHZLHWJQPUNKB-UHFFFAOYSA-N- Molecular formula
- C4H9NO
- Average molar mass
- 87.12 g/mol
- Monoisotopic mass
- 87.06841391
Overview
structure in first source
Names & identifiers
- Preferred name
- 4-Hydroxypyrrolidine
- IUPAC
- pyrrolidin-3-ol
- English name
- 3-Pyrrolidinol
- Molecular formula
- C4H9NO
- Molecular weight
- 87.12
Names & synonyms
4-hydroxypyrrolidineRefChem:871021Pyrrolidin-3-ol3-Pyrrolidinol40499-83-03-HydroxypyrrolidineDL-3-PyrrolidinolMFCD00005256DL-3-Hydroxypyrrolidinerac-pyrrolidin-3-ol3-hydroxy pyrrolidine3-hydroxyl-pyrrolidine
Show more names
Pyrrolidin-3-oPyrrolidine-3-olDL-Pyrrolidin-3-ol3-Pyrrolidinol 98%3-HYDROXYPYRROLINE3-pyrrolidinol (DL)
4-hydroxy-2-pyrrolidineNSC89294(r/s)-3-hydroxypyrrolidineNSC-89294PB32171R-(+)-3-Pyrrolidinol(RS)-3-hydroxypyrrolidinepyrrolidin-3ol
Database identifiers
- CAS
40499-83-0- PubChem CID
- 98210
- DTXSID
DTXSID501317332- ChEMBL
CHEMBL118705- EC Number
- 254-944-5
- Nikkaji
- J326C
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 46.8
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Amino Alcohols, Other
Physical DescriptionClear yellow liquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Boiling point
- 108 · 108-110 °C8 mm Hg(lit.)
- Density
- 1.076 g/mL · 1.076 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.49(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 14.91 · 14.91±0.20(Predicted)
- form
- Liquid
- color
- Clear colorless to yellow
- BRN
- 102542 · 102542
- InChI
- 1S/C4H9NO/c6-4-1-2-5-3-4/h4-6H,1-3H2
- InChIKey
- JHHZLHWJQPUNKB-UHFFFAOYSA-N
- SMILES
- OC1CCNC1
- CAS DataBase Reference
- 40499 · 40499-83-0(CAS DataBase Reference)
- NIST Chemistry Reference
- 3 · 3-Pyrrolidinol(40499-83-0)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37
- WGK Germany
- 3 · 3
- F
- 10 · 10-34
- HS Code
- 29339900 · 29339900
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): 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 44 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryAn irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 10-34
- 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
- 26-37
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses3-Hydroxypyrrolidine is a heterocyclic organic compound that can be used as an organic reagent.
Upstream & downstream products
Downstream products
Suppliers50 total
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Related reactions
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