CAS 311774-34-2 4-[(6-Chloropyridin-3-yl)methyl]morpholine (HCID 3614045)

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Basic information

CAS: 311774-34-2
Standard SMILES: Clc1ccc(CN2CCOCC2)cn1
InChIKey: SGGCJTJHZSXKJT-UHFFFAOYSA-N
Molecular formula: C10H13ClN2O
Average molar mass: 212.67 g/mol
Monoisotopic mass: 212.07164072

Names & identifiers

Preferred name: 4-[(6-Chloropyridin-3-yl)methyl]morpholine
IUPAC: 4-[(6-chloro-3-pyridinyl)methyl]morpholine
English name: 4-[(6-CHLOROPYRIDIN-3-YL)METHYL]MORPHOLINE
Molecular formula: C10H13ClN2O
Molecular weight: 212.68

Names & synonyms

4-[(6-chloropyridin-3-yl)methyl]morpholine311774-34-24-((6-Chloropyridin-3-yl)methyl)morpholine4-[(6-chloro-3-pyridinyl)methyl]morpholineMFCD006848294-[(6-chloro-3-pyridyl)methyl]morpholineBionet2_001631SCHEMBL392531DTXSID00394259SGGCJTJHZSXKJT-UHFFFAOYSA-NHMS1368M03ALBB-008883

Show more names

Morpholine, 4-[(6-chloro-3-pyridinyl)methyl]-4-[(6-chloro-3-pyridinyl)methyl]morpholine(SALTDATA: FREE)

BBL012521STK501621AKOS000154837N-(6-chloropyridin-3-ylmethyl)morpholineST069057DB-3087054-(6-Chloro-pyridin-3-ylmethyl)-morpholineCS-0197138

Database identifiers

CAS: 311774-34-2
PubChem CID: 3614045
DTXSID: DTXSID00394259

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 25.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 174

Physicochemical properties

Melting point: 65 · 65-66 °C
Boiling point: 314.3 · 314.3±37.0 °C(Predicted)
Density: 1.236 · 1.236±0.06 g/cm3(Predicted)
pka: 5.28 · 5.28±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
HS Code: 2934999090 · 2934999090