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6-Methyl Nornicotine

6-Methyl Nornicotine structure

CAS No:
90872-72-3
Formula:
C10H14N2
Chemical Name:
6-Methyl Nornicotine
Synonyms:
2-Methyl-5-(2-pyrrolidinyl)-pyridine;5-(2-Pyrrolidinyl)-2-picolin;6-Methyl Nornicotine;5-(2-Pyrrolidinyl)-2-picoline;2-Methyl-5-pyrrolidin-2-yl-pyridine;Pyridine,2-Methyl-5-(2-pyrrolidinyl)-;5-((2R)PYRROLIDIN-2-YL)-2-METHYLPYRIDINE;2-Methyl-5-(pyrrolidin-2-yl)

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Description

Colourless Oil

6-Methyl Nornicotine Basic Attributes

Molecular Weight：

162.23

Exact Mass：

162.11600

DSSTox ID：

DTXSID60508855

Color/Form：

Clear Light Yellow

HScode：

2933399990

Characteristics

PSA：

24.9

XLogP3：

0.6

Appearance：

Colourless Oil

Density：

1.023

Melting Point：

65-700C

Boiling Point：

269℃

Flash Point：

116.7ºC

Refractive Index：

1.532

PKA：

9.11±0.10(Predicted)

Critical Temperature & Pressure：

under inert gas (nitrogen or Argon) at 2–8 °C

6-Methyl Nornicotine Use and Manufacturing

Methods of Manufacturing

3-Methyl-2-[(2R)-2-(6-methylpyridin-3-yl)pyrrolidin-1-yl]-7-(propan-2-yl)imidazo[5, 1-f][1, 2, 4]triazin-4(3H)-one: The chiral separation of 3-methyl-2-[2-(6-methylpyridin-3-yl)pyrrolidin-1-yl]-7-(propan-2-yl)imidazo[5, 1-f][1, 2, 4]triazin-4(3H)-one (150 mg) gave the titled compound. Retention Time: 4.03 min. / Mehod A.LC-MS (m/z) = 353 [M + H]+.1H-NMR (400 MHz, CDCl3): delta 1.11-1.12 (m, 3H), 1.32-1.34 (m, 3H), 1.93-2.01 (m, 1H), 2.03-2.19 (m, 1H), 2.18-2.24 (m, 1H), 2.41-2.46 (m, 1H), 2.47 (s, 3H), 3.34-3.41 (m, 1H), 3.45-3.49 (m, 1H), 3.52 (s, 3H), 3.94-4.01 (m, 1H), 5.06-5.11 (m, 1H), 7.27-7.25 (m, 1H), 7.57(s, 1H), 7.83-7.85 (m, 1H), 8.49 (s, 1H). 3-Methyl-2-[(2S)-2-(6-methylpyridin-3-yl)pyrrolidin-1-yl]-7-(propan-2-yl)imidazo[5, 1-f][1, 2, 4]triazin-4(3H)-one: The chiral separation of 3-methyl-2-[2-(6-methylpyridin-3-yl)pyrrolidin-1-yl]-7-(propan-2-yl)imidazo[5, 1-f][1, 2, 4]triazin-4(3H)-one (150 mg) gave the titled compound. Retention Time: 4.79 min. / Mehod A.LC-MS (m/z) = 353 [M + H]+.1H-NMR (400 MHz, CDCl3): delta 1.11-1.12 (m, 3H), 1.32-1.34 (m, 3H), 1.93-2.01 (m, 1H), 2.03-2.19 (m, 1H), 2.18-2.24 (m, 1H), 2.41-2.46 (m, 1H), 2.47 (s, 3H), 3.34-3.41 (m, 1H), 3.45-3.49 (m, 1H), 3.52 (s, 3H), 3.94-4.01 (m, 1H), 5.06-5.11 (m, 1H), 7.27-7.25 (m, 1H), 7.57(s, 1H), 7.83-7.85 (m, 1H), 8.49 (s, 1H). 3-Methyl-2-[2-(6-methylpyridin-3-yl)pyrrolidin-1-yl]-7-(propan-2-yl)imidazo[5, 1-f][1, 2, 4]triazin-4(3H)-one: A mixture of 2-chloro-3-methyl-7-(propan-2-yl)imidazo[5, 1-f][1, 2, 4]triazin-4(3H)-one (200 mg, 0.89 mmol),

Uses

Nicotine analog

Computed Properties

Molecular Weight:162.23
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:162.115698455
Monoisotopic Mass:162.115698455
Topological Polar Surface Area:24.9
Heavy Atom Count:12
Complexity:147
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6-Methyl Nornicotine

Description
Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
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6-Methyl Nornicotine

SDS

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