CAS 74494-52-3 3-Piperidineacetic acid (HCID 283696)

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Basic information

CAS: 74494-52-3
Standard SMILES: O=C(O)CC1CCCNC1
InChIKey: WKXRHAACRPUBIC-UHFFFAOYSA-N
Molecular formula: C7H13NO2
Average molar mass: 143.18 g/mol
Monoisotopic mass: 143.09462866

Names & identifiers

Preferred name: 3-Piperidineacetic acid
IUPAC: 2-piperidin-3-ylacetic acid
English name: 3-PIPERIDINE ACETIC ACID
Molecular formula: C7H13NO2
Molecular weight: 143.18

Names & synonyms

74494-52-33-Piperidineacetic acidDTXSID00300759RefChem:95367DTXCID602518942-(Piperidin-3-yl)acetic acid3-piperidine acetic acidPiperidin-3-yl-acetic acid2-(3-piperidyl)acetic acid2-piperidin-3-ylacetic acidMFCD064106463-PIPERIDINEACETICACID

Show more names

NSC 1387352-(Piperidin-3-yl)

piperidin-3-ylacetic acid3-Piperidineacetic Acid-d113-PIPERIDINYLACETIC ACID(PIPERIDIN-3-YL)ACETIC ACIDNSC-138735AB70074AS-31697CS-0037060

Database identifiers

CAS: 74494-52-3
PubChem CID: 283696
DTXSID: DTXSID00300759
UNII: Z6N5E8S2R4
Nikkaji: J693.917A

Properties

Computed structural properties

XLogP: -2.2
Topological polar surface area: 49.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 125

Physicochemical properties

Melting point: 276 · 276-278 °C
Boiling point: 286.8 · 286.8±13.0 °C(Predicted)
Density: 1.063 · 1.063±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
solubility: DCM, Methanol, Water
form: Solid
pka: 4.43 · 4.43±0.10(Predicted)
color: White
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H302-H335-H315
Precautionary statements: 304 · P304+P340-P302+P352-P305+P351+P338-P301+P312-P261