CAS 26371-07-3 1-Piperidinepropanoic acid (HCID 117782)

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Basic information

CAS: 26371-07-3
Standard SMILES: O=C(O)CCN1CCCCC1
InChIKey: LPDGWMLCUHULJF-UHFFFAOYSA-N
Molecular formula: C8H15NO2
Average molar mass: 157.21 g/mol
Monoisotopic mass: 157.11027872

Overview

structure given in first source

Names & identifiers

Preferred name: 1-Piperidinepropanoic acid
IUPAC: 3-piperidin-1-ylpropanoic acid
English name: 1-Piperidinepropionic acid
Molecular formula: C8H15NO2
Molecular weight: 157.21

Names & synonyms

26371-07-31-Piperidinepropionic acid1-Piperidinepropanoic acid3-piperidin-1-ylpropanoic acidPIPERIDINEPROPIONIC ACID3-piperidinopropanoic acid3-(1-Piperidinyl)propanoic acid3-(1-Piperidinyl)propionic acid3-piperidinopropionic acidUNII-6L69A7VPHO3-piperidin-1-ylpropionic acidEINECS 247-633-0

Show more names

RARECHEM AL BO 02051-piperidinepropanoicacidpiperidine-1-propionic acid3-(1-piperidyl)propanoic acid1-Piperidinepropionic acid 96%

DTXSID1067201Propanoic acid, 3-(1-piperidyl)-RefChem:77033DTXCID5037494PIPERIDINEPROPIONIC ACID [INCI]247-633-0InChI=1/C8H15NO2/c10-8(11)4-7-9-5-2-1-3-6-9/h1-7H2,(H,10,11LPDGWMLCUHULJF-UHFFFAOYSA-N

Database identifiers

CAS: 26371-07-3
PubChem CID: 117782
DTXSID: DTXSID1067201

Properties

Computed structural properties

XLogP: -1.7
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 130

Physicochemical properties

Melting point: 105 · 105-110 °C (lit.)
Boiling point: 105 · 105-108 °C/0.5 mmHg (lit.)
Density: 1.0806 · 1.0806 (rough estimate)
refractive index: 1.459 · 1.4590 (estimate)
storage temp.: Sealed in dry,Room Temperature
pka: 3.83 · 3.83±0.10(Predicted)
form: Powder
color: White to pale brown
Cosmetics Ingredients Functions: SKIN CONDITIONING
InChI: InChI=1S/C8H15NO2/c10-8(11)4-7-9-5-2-1-3-6-9/h1-7H2,(H,10,11)
InChIKey: LPDGWMLCUHULJF-UHFFFAOYSA-N
SMILES: N1(CCC(O)=O)CCCCC1
FDA UNII: 6 L69A7VPHO · 6L69A7VPHO
EPA Substance Registry System: 1 · 1-Piperidinepropanoic acid (26371-07-3)
UNSPSC Code: 12352100 · 12352100

Safety & regulation

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 40 reports by companies from 3 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
tsca: TSCA listed
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
hazard_class: IRRITANT
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

Uses & manufacturing

General Manufacturing Information1-Piperidinepropanoic acid: INACTIVE

Applications

UsesReactant for synthesis of: Protease activated receptor 2 agonists Selective 5-HT6 antagonists Kinesin Eg5 inhibitors Selective ketone histone deacetylase inhibitors JNK2 and JNK3 inhibitors Opioid receptor antagonists

General Description1-Piperidinepropionic acid is an amino acid and its effectiveness as plasticizer has been tested.