4-[(4-Bromothien-2-YL)methyl]morpholine

HCID 783497

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Basic information

CAS: 194851-19-9
Standard SMILES: Brc1csc(CN2CCOCC2)c1
InChIKey: XYQVGDMXJNORKK-UHFFFAOYSA-N
Molecular formula: C9H12BrNOS
Average molar mass: 262.17 g/mol
Monoisotopic mass: 260.9823

Names & identifiers

Preferred name: 4-[(4-Bromothien-2-YL)methyl]morpholine
IUPAC: 4-[(4-bromothiophen-2-yl)methyl]morpholine
English name: 4-[(4-Bromothien-2-yl)methyl]morpholine
Molecular formula: C9H12BrNOS
Molecular weight: 262.17

Names & synonyms

194851-19-94-[(4-BROMOTHIEN-2-YL)METHYL]MORPHOLINE4-[(4-bromothiophen-2-yl)methyl]morpholine4-((4-bromothiophen-2-yl)methyl)morpholineMFCD016534824-Bromo-2-(morpholin-4-ylmethyl)thiopheneCambridge id 5430345Oprea1_110534SCHEMBL578293DTXSID80354816XYQVGDMXJNORKK-UHFFFAOYSA-N4-bromo-2-morpholinomethylthiophene

Show more names

Morpholine, 4-[(4-bromo-2-thienyl)methyl]-

SBB102524AKOS011015022BP-20134BS-276584-[(4-Bromo-2-thienyl)methyl]morpholineDB-0658604-(4-Bromo-thiophen-2-ylmethyl)-morpholineCS-0210294

Database identifiers

CAS: 194851-19-9
PubChem CID: 783497
DTXSID: DTXSID80354816

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 40.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 164

Physicochemical properties

Boiling point: 311.9 · 311.9±37.0 °C(Predicted)
Density: 1.519 · 1.519±0.06 g/cm3(Predicted)
pka: 5.5 · 5.50±0.10(Predicted)
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H312-H314-H318-H332
Precautionary statements: 260 · P260-P261-P264-P270-P271-P280-P301+P310+P330+P331-P303+P361+P353+P310-P304+P340+P310-P305+P351+P338+P310-P363-P405-P501
HS Code: 2934999090 · 2934999090

Safety & regulation

Safety data

hs_code: 2934999090
Signal word: Danger
Symbol(GHS): GHS05,GHS07
Hazard statements: H302-H312-H314-H318-H332
Precautionary statements: P260-P261-P264-P270-P271-P280-P301+P310+P330+P331-P303+P361+P353+P310-P304+P340+P310-P305+P351+P338+P310-P363-P405-P501