Basic information
- CAS
101952-65-2- Standard SMILES
O=C(OCCCO)c1cccnc1- InChIKey
OVVPXBCSMMGCTP-UHFFFAOYSA-N- Molecular formula
- C9H11NO3
- Average molar mass
- 181.19 g/mol
- Monoisotopic mass
- 181.07389321
Names & identifiers
- Preferred name
- 3-Hydroxypropyl nicotinate
- IUPAC
- 3-hydroxypropyl pyridine-3-carboxylate
- English name
- 3-HYDROXYPROPYLNICOTINATE
- Molecular formula
- C9H11NO3
- Molecular weight
- 181.19
Names & synonyms
101952-65-23-Hydroxypropyl nicotinate3-hydroxypropyl pyridine-3-carboxylate3-Pyridinecarboxylic acid, 3-hydroxypropyl esterNICOTINIC ACID, 3-HYDROXYPROPYL ESTERBRN 0143338SCHEMBL7285050SCHEMBL7285060SCHEMBL31161094DTXSID40144417MFCD00870065AKOS006273162
Show more names
3-hydroxypropylacidester3-HYDROXYPROPYLNICOTINATE
F86971F861506
Database identifiers
- CAS
101952-65-2- PubChem CID
- 59176
- DTXSID
DTXSID40144417- Nikkaji
- J68.309D
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
上海鑫凯化学科技有限公司021-58930698 15921516558 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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