3-(Pyridin-3-yl)propanoic acid

HCID 259624

Notes Reactions

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Basic information

CAS: 3724-19-4
Standard SMILES: O=C(O)CCc1cccnc1
InChIKey: WDGXIUUWINKTGP-UHFFFAOYSA-N
Molecular formula: C8H9NO2
Average molar mass: 151.16 g/mol
Monoisotopic mass: 151.06332853

Overview

3-(3-pyridinyl)propanoic acid is a member of pyridines.

Names & identifiers

Preferred name: 3-(Pyridin-3-yl)propanoic acid
IUPAC: 3-pyridin-3-ylpropanoic acid
English name: 3-Pyridinepropionic acid
Molecular formula: C8H9NO2
Molecular weight: 151.16

Names & synonyms

3-pyridinepropanoic acid3-(pyridin-3-yl)propanoic acidRefChem:496075625-099-33724-19-43-Pyridinepropionic acid3-(3-Pyridyl)propionic acid3-pyridin-3-ylpropanoic acid3-(3-pyridyl)propanoic acidPyridine-3-propionic acidMFCD002741973-(3-Pyridinyl)propanoic acid

Show more names

SKL360AKOS AUF2067LABOTEST-BB LT002484853-Pyridinepropionicaci3-(3-Pyridine)propionic acid

3-(Pyridin-3-yl)propionic acidCPK99G68KHMLS000736888NSC-897203-(3-Pyridyl)propionicacid3-Pyridinepropionicacid3-pyridylpropionic acidMaybridge4_001332

Database identifiers

CAS: 3724-19-4
PubChem CID: 259624
DTXSID: DTXSID40293459
ChEMBL: CHEMBL1725941
ChEBI: CHEBI:183427
UNII: CPK99G68KH
EC Number: 625-099-3
Nikkaji: J1.714.843E

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 50.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 136

Physicochemical properties

Melting point: 156 · 156-160 °C(lit.)
Boiling point: 309.9 · 309.9±17.0 °C(Predicted)
Density: 1.193 · 1.193±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: 4.2 · 4.20±0.10(Predicted)
form: Crystalline Powder
color: Slightly beige
BRN: 122232 · 122232
InChI: 1S/C8H9NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h1-2,5-6H,3-4H2,(H,10,11)
InChIKey: WDGXIUUWINKTGP-UHFFFAOYSA-N
SMILES: OC(=O)CCc1cccnc1
CAS DataBase Reference: 3724 · 3724-19-4(CAS DataBase Reference)
FDA UNII: 99 G68KH · CPK99G68KH
NIST Chemistry Reference: 3 · 3-Pyridinepropionic acid(3724-19-4)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 29333999 · 29333999
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

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 · 4 items

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 46 reports by companies from 6 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

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29333999
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 3 items

Uses3-Pyridinepropionic acid (PPA) may be used: in the preparation of new coordination polymers of Ag, Cu and Zn, via reaction with AgNO3, Cu(NO3)2·6H2O and Zn(NO32·6H2O in MeOH in the hydrothermal synthesis of coordination polymers, [Zn(PPA)2(H2O)2]n and [Cd(PPA)2]n as bidentate chelating agent for the chelation of rare-earth ions, Eu3+ and Tb3+ for the fluorescence enhancement in sol-gels.

Uses3-Pyridinepropionic acid (PPA) may be used:in the preparation of new coordination polymers of Ag, Cu and Zn, via reaction with AgNO3, Cu(NO3)2·6H2O and Zn(NO32·6H2O in MeOHin the hydrothermal synthesis of coordination polymers, [Zn(PPA)2(H2O)2]n and [Cd(PPA)2]nas bidentate chelating agent for the chelation of rare-earth ions, Eu3+ and Tb3+ for the fluorescence enhancement in sol-gels

General Description3-Pyridinepropionic acid is commonly used as ligand to make coordination polymers. Crystal structure of 3-pyridinepropionic acid (3-(pyridin-3-yl) propionic acid ) has been investigated.

Upstream & downstream products

Upstream raw materials

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+86-18530059196 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海策嵘生物科技有限公司[email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Additional notes

DefinitionChEBI: 3-(3-pyridinyl)propanoic acid is a member of pyridines.

Related reactions

44 records

New reaction record

HRID 14779As reactantuspto-grants-2010_06

HRID 115041As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 126143As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 128648As reactantuspto-grants-1995_11

HRID 134680As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 188198As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 195071As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 332971As reactantuspto-grants-2014_11

Compound notes

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