Basic information
- CAS
2629-72-3- Standard SMILES
OCCCc1ccncc1- InChIKey
PZVZGDBCMQBRMA-UHFFFAOYSA-N- Molecular formula
- C8H11NO
- Average molar mass
- 137.18 g/mol
- Monoisotopic mass
- 137.08406397
Names & identifiers
- Preferred name
- 4-Pyridinepropanol
- IUPAC
- 3-pyridin-4-ylpropan-1-ol
- English name
- 4-Pyridinepropanol
- Molecular formula
- C8H11NO
- Molecular weight
- 137.18
Names & synonyms
4-Pyridinepropanol2629-72-33-pyridin-4-ylpropan-1-ol4-(3-Hydroxypropyl)pyridineNSC 3720EINECS 220-107-8NSC 66565AI3-24361DTXSID9062564RefChem:100453DTXCID6037481InChI=1/C8H11NO/c10-7-1-2-8-3-5-9-6-4-8/h3-6,10H,1-2,7H
Show more names
AURORA KA-25214-PROPANOLPYRIDINE4-Pyridine-1-propanol4-Pyridinepropanol>4-PYRIDINEPROPANOL,98%4-Pyridinepropanol 96%
PZVZGDBCMQBRMA-UHFFFAOYSA-N3-(Pyridin-4-Yl)Propan-1-Ol3-(4-Pyridyl)-1-propanol3-(4-Pyridyl)propan-1-ol3-(4-Pyridyl)propanolMFCD00047457NSC-3720NSC-66565
Database identifiers
- CAS
2629-72-3- PubChem CID
- 72923
- DTXSID
DTXSID9062564- ChEMBL
CHEMBL3229432- UNII
- STY8TR253L
- EC Number
- 220-107-8
- Nikkaji
- J192.145B
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
- 79
Physicochemical properties
- Melting point
- 35 · 35-39 °C (lit.)
- Boiling point
- 289 °C · 289 °C (lit.)
- Density
- 1.061 g/mL · 1.061 g/mL at 25 °C (lit.)
- refractive index
- 1.536 · 1.5360 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Inert atmosphere,Room Temperature
- form
- powder to lump
- pka
- 14.92 · 14.92±0.10(Predicted)
- color
- White to Gray to Brown
- InChI
- InChI=1S/C8H11NO/c10-7-1-2-8-3-5-9-6-4-8/h3-6,10H,1-2,7H2
- InChIKey
- PZVZGDBCMQBRMA-UHFFFAOYSA-N
- SMILES
- C1=NC=CC(CCCO)=C1
- CAS DataBase Reference
- 2629 · 2629-72-3(CAS DataBase Reference)
- EPA Substance Registry System
- 4 · 4-Pyridinepropanol (2629-72-3)
- UNSPSC Code
- 12352100 · 12352100
Safety & regulation
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2933399990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- 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
Uses4-Pyridinepropanol is used to construct a linear axle containing perfluoro stoppers in the synthesis of a rotaxane from dibenzo-24-crown-8.1
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers96 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司
Related reactions
84 records
Compound notes
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