Basic information
- CAS
2859-67-8- Standard SMILES
OCCCc1cccnc1- InChIKey
ZUGAIMFLQLPTKB-UHFFFAOYSA-N- Molecular formula
- C8H11NO
- Average molar mass
- 137.18 g/mol
- Monoisotopic mass
- 137.08406397
Names & identifiers
- Preferred name
- 3-Pyridinepropanol
- IUPAC
- 3-pyridin-3-ylpropan-1-ol
- English name
- 3-Pyridinepropanol
- Molecular formula
- C8H11NO
- Molecular weight
- 137.18
Names & synonyms
3-Pyridinepropanol2859-67-83-(3-PYRIDYL)-1-PROPANOL3-(3-Hydroxypropyl)pyridine3-Propanolpyridine3-pyridin-3-ylpropan-1-ol3-(3-Pyridyl)propanolDTXSID5022198EINECS 220-675-7NSC 66564BRN 0112609DTXCID302198
Show more names
3-Pyridine-1-propanol3-Pyridinepropanol>3-Pyridinepropanol 98%3-(3-Pyridinyl)-1-propanol
5-21-02-00237 (Beilstein Handbook Reference)RefChem:95404InChI=1/C8H11NO/c10-6-2-4-8-3-1-5-9-7-8/h1,3,5,7,10H,2,4,6HZUGAIMFLQLPTKB-UHFFFAOYSA-N3-(Pyridin-3-Yl)Propan-1-Ol3-(3-Pyridyl)propan-1-olMFCD000064143-Pyridin-3-yl-propan-1-ol
Database identifiers
- CAS
2859-67-8- PubChem CID
- 17861
- DTXSID
DTXSID5022198- ChEMBL
CHEMBL3229431- UNII
- JEX9VDX72H
- EC Number
- 220-675-7
- Nikkaji
- J51.338E
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
- 85.3
Experimental & physicochemical properties
LogP0.6
Collision Cross Section128.0 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID5022198]
Physicochemical properties
- Boiling point
- 130 · 130-133 °C/3 mmHg (lit.)
- Density
- 1.063 g/mL · 1.063 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.53(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Inert atmosphere,Room Temperature
- form
- clear liquid
- pka
- 14.96 · 14.96±0.10(Predicted)
- color
- Colorless to Light yellow to Light orange
- InChI
- 1S/C8H11NO/c10-6-2-4-8-3-1-5-9-7-8/h1,3,5,7,10H,2,4,6H2
- InChIKey
- ZUGAIMFLQLPTKB-UHFFFAOYSA-N
- SMILES
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (97.6%): 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- UT7390000
- hs_code
- 2933399990
- Toxicity
- mouse,LD50,intravenous,180mg/kg (180mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01584,
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Pyridinepropanol: INACTIVE
Applications
Uses3-(Pyridin-3-yl)propanol is a reagent in the synthesis of pyridylalcohols that exhibits hypoglycemic activity in fasted rats.
Upstream & downstream products
Downstream products
Suppliers83 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Related reactions
70 records
Compound notes
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