Basic information
- CAS
7681-15-4- Standard SMILES
CCCOC(=O)c1cccnc1- InChIKey
CLAOCVVWIKGTOP-UHFFFAOYSA-N- Molecular formula
- C9H11NO2
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.07897859
Overview
structure in Negwer, 5th ed, #1028
Names & identifiers
- Preferred name
- Propyl nicotinate
- IUPAC
- propyl pyridine-3-carboxylate
- English name
- propyl nicotinate
- Molecular formula
- C9H11NO2
- Molecular weight
- 165.19
Names & synonyms
PROPYL NICOTINATE7681-15-4Nicodan percutanNicodanNICOTINIC ACID PROPYL ESTER3-Pyridinecarboxylic acid, propyl ester80CZF4GX8NNSC-78447DTXSID50227629RefChem:854091DTXCID50150120231-662-0
Show more names
Nsc78447N-PROPYLNICOTINATECLAOCVVWIKGTOP-UHFFFAOYSA-NNicodan Percutan, 10 mM in DMSOPyridine-3-carboxylic acid propyl ester
propyl pyridine-3-carboxylateNicotinic acid, propyl esterMFCD00023586UNII-80CZF4GX8NpropylnicotinatEINECS 231-662-0NSC 78447AI3-15767
Database identifiers
- CAS
7681-15-4- PubChem CID
- 24331
- DTXSID
DTXSID50227629- UNII
- 80CZF4GX8N
- EC Number
- 231-662-0
- Nikkaji
- J191.631I
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 147
Experimental & physicochemical properties
SpringerMaterials PropertiesDielectric constant
LogP1.94
Physicochemical properties
- Boiling point
- 235 °C · 235 °C
- Density
- 1.075 · 1.075±0.06 g/cm3(Predicted)
- pka
- 3.2 · 3.20±0.10(Predicted)
- FDA UNII
- 80 CZF4GX8N · 80CZF4GX8N
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
UsesPropyl Nicotinate is used in the making of tooth-cleaning compositions for the treatment of patients with periodontal diseases. Propyl Nicotinate is used in the making of intravenous nicodan injections for the treatment of muscular rheumatism.
Suppliers22 total
韶远科技（上海）有限公司4000665055 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
上海辅欣医药科技有限公司021-50872116 13391048226 · [email protected]
常州布克化工有限公司13606129753 13775119556 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
安庆棠砚生物科技有限公司0-18918530082 18918530082
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
苏州高朋药业有限公司13358059751
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
杭州药睿易成生物医药有限公司18072846723 19357267848 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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