Basic information
- Standard SMILES
OCCCc1ccccn1- InChIKey
FVZXYJDGVYLMDB-UHFFFAOYSA-N- Molecular formula
- C8H11NO
- Average molar mass
- 137.18 g/mol
- Monoisotopic mass
- 137.08406397
Names & identifiers
- Preferred name
- Pyripropanol
- IUPAC
- 3-pyridin-2-ylpropan-1-ol
- English name
- 2-Pyridinepropanol
- Molecular formula
- C8H11NO
- Molecular weight
- 137.18
Names & synonyms
2-Pyridinepropanol2859-68-93-(2-Pyridyl)-1-propanolPyripropanol2-Pyridylpropanol3-(2-Pyridyl)propanol3-(2-Pyridyl)propan-1-ol2-Propanol pyridine5GHN91K70QNSC 2243NSC-2243EINECS 220-676-2
Show more names
2-Pyridine-1-propanol2-Pyridinepropanol 96%2-PYRIDINEPROPANOL 99+%3-(2'-Pyridine)propanol
DTXSID60626722Pyridylpropanol3(2Pyridyl)propanol3(2Pyridyl)1propanol3(2Pyridyl)propan1olRefChem:870966DTXCID7037842220-676-2
Database identifiers
- CAS
2859-68-9、5307-19-7- PubChem CID
- 72922
- DTXSID
DTXSID6062672- ChEMBL
CHEMBL3229430- UNII
- 5GHN91K70Q
- EC Number
- 220-676-2
- Nikkaji
- J208.846K
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 85
Physicochemical properties
- Melting point
- 34 °C · 34°C
- Boiling point
- 100 · 100-102 °C2 mm Hg(lit.)
- Density
- 1.066 g/mL · 1.066 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.5295(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 14.92 · 14.92±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- InChI
- InChI=1S/C8H11NO/c10-7-3-5-8-4-1-2-6-9-8/h1-2,4,6,10H,3,5,7H2
- InChIKey
- FVZXYJDGVYLMDB-UHFFFAOYSA-N
- SMILES
- C1(CCCO)=NC=CC=C1
- CAS DataBase Reference
- 2859 · 2859-68-9(CAS DataBase Reference)
- FDA UNII
- 5 GHN91K70Q · 5GHN91K70Q
- NIST Chemistry Reference
- 3 · 3-(2-Pyridyl)-1-propanol(2859-68-9)
- EPA Substance Registry System
- 2 · 2-Pyridinepropanol (2859-68-9)
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses3-Pyridin-2-ylpropan-1-ol is a reagent in the synthesis of pyridylalcohols that exhibits hypoglycemic activity in fasted rats.
Upstream & downstream products
Upstream raw materials
Suppliers50 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
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Related reactions
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