3-[(2S)-1-Methyl-2-pyrrolidinyl]pyridine sulfate (2:1) | CAS No. 65-30-5

3-[(2S)-1-Methyl-2-pyrrolidinyl]pyridine sulfate (2:1)

Basic Information

CAS Number

65-30-5

Molecular Formula

C20H30N4O4S

Molecular Weight

422.55 g/mol

AD

Basic Physical Properties

Density

1.22

Specific Rotation

D20 +88° (p = 70)

CN1CCCC1C2=CN=CC=C2.CN1CCCC1C2=CN=CC=C2.OS(=O)(=O)O

InChI

InChI=1S/2C10H14N2.H2O4S/c2*1-12-7-3-5-10(12)9-4-2-6-11-8-9;1-5(2,3)4/h2*2,4,6,8,10H,3,5,7H2,1H3;(H2,1,2,3,4)/t2*10-;/m00./s1

InChIKey

IECQULMJVNSKDB-RCWTXCDDSA-N

LogP

3.043800000000001

Topological Polar Surface Area

106.86 Ų

Hydrogen Bond Donor/Acceptor

2 / 8

Complexity

228

Safety Information

View Safety Information

Hazard Class

Class 6.1(a) Class 6.1(a)

Stability

Stable. Incompatible with strong oxidisers. Flammable.

Synonyms & References

English

  • DTXCID101725
  • (S)-3-(1-Methyl-2-pyrrolidinyl)pyridine sulfate (2:1)
  • Nicotine sulfate, 40% solution in water
  • Sulfate de nicotine [French]
  • HSDB 805
  • l-1-Methyl-2-(3-pyridyl)-pyrrolidine sulfate
  • (-)-1-Methyl-2-(3-pyridyl)pyrrolidine
  • (-)-Nicotine hemisulfate salt
  • EPA Pesticide Chemical Code 056703
  • NICOTINE NEUTRAL SULFATE
  • Black leaf 40 garden spray
  • NICOTINE SULFATE
  • (S)-3-(1-METHYL-2-PYRROLIDINYL)-PYRIDINE SULFATE
  • Nicotine sulphate
  • 1-1-METHYL-2-(3-PYRIDYL)-PYRROLIDINE SULPHATE
  • (-)-Nicotine hemisulfate salt, >=95% (TLC), ~35 % (w/v) in H2O (based on free base)
  • NICOTINE SULFATE [HSDB]
  • NICOTINE NEUTRAL SULPHATE
  • UX4GTH155W
  • 1-1-METHYL-2-(3-PYRIDYL)-PYRROLIDINE SULFATE
  • 65-30-5
  • Tox21_302354
  • (S)-3-(1-METHYL-2-PYRROLIDINYL)-PYRIDINE SULPHATE
  • NCGC00255315-01
  • 1,3-(1-METHYL-2-PYRROLIDYL)-PYRIDINE SULPHATE
  • AI3-02435
  • MFCD00148918
  • Pyridine, 3-((2S)-1-methyl-2-pyrrolidinyl)-, sulfate (2:1)
  • Pyrrolidine, 1-methyl-2-(3-pyridyl)-, sulfate
  • 3-((2S)-1-METHYL-2-PYRROLIDINYL)PYRIDINE, SULPHATE (2:1)
  • nicotine sulfate salt

MDL Number

MFCD00148918

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