Arecoline | CAS No. 63-75-2

Arecoline

Basic Information

CAS Number

63-75-2

Molecular Formula

C8H13NO2

Molecular Weight

155.2 g/mol

AD

Basic Physical Properties

Melting Point

<25 ºC

Boiling Point

209 ºC

Density

1.0504 g/cm3 (20 ºC)

Flash Point

81.1±14.9 ºC,

Refractive Index

1.4860 (589.3 nm 20 ºC)

Vapor Pressure

0.08 mmHg

CN1CCC=C(C1)C(=O)OC

InChI

InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3

InChIKey

HJJPJSXJAXAIPN-UHFFFAOYSA-N

LogP

0.4213

pKa

6.84(at 25℃)

Topological Polar Surface Area

29.54 Ų

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

187

Safety Information

View Safety Information

Toxicity

LD50 in mice, dogs (mg/kg): 100, 5 s.c. (Burrows)

Synonyms & References

English

  • arecoline
  • SDCCGMLS-0066647.P001
  • SCHEMBL44065
  • EINECS 200-565-5
  • ?arecoline
  • BSPBio_000324
  • Prestwick3_000402
  • Methylarecaidine
  • 63-75-2 (free)
  • L000795
  • 63-75-2
  • NCGC00162053-03
  • EN300-40737
  • SR-01000075307-9
  • DB04365
  • N-Methyltetrahydropyridine-beta-carboxylic acid methyl ester
  • 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid methyl ester;hydrobromide
  • N-Methyl-beta -carboxylic acid methyl ester
  • methyl 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate
  • DTXSID3022617
  • BRN 0123045
  • NCGC00015075-19
  • NS00002617
  • NCGC00015075-10
  • NICOTINIC ACID, 1,2,5,6-TETRAHYDRO-1-METHYL-, METHYL ESTER
  • 1-Methyl-delta(sup 3,4)tetrahydro-3-pyridinecarboxylate
  • KBioSS_000435
  • Methyl N-methyl-1,2,5,6-tetrahydronicotinate
  • 1,2,5,6-Tetrahydro-1-methyl-3-pyridinecarboxylic acid methyl ester
  • Methyl 1,2,5,6-tetrahydro-1-methylnicotinate
  • Methyl 1,5,6-tetrahydro-1-methylnicotinate

MDL Number

MFCD00059167

Customs Code

2933399090

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