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3-Pyridineethaneamine

3-Pyridineethaneamine structure

CAS No:
20173-24-4
Formula:
C7H10N2
Chemical Name:
3-Pyridineethaneamine
Synonyms:
Aminoethylpyridine;RARECHEMALBW0249;3-AMINOETHYLPYRIDINE;3-Pyridineethylamine;3-Pyridineethanamine;3-pyridineethaneamine;2-(3-PYRIDYL)ETHYLAMINE;3-(2-AMINOETHYL)PYRIDINE;2-PYRIDIN-3-YL-ETHYLAMINE;2-(PYRIDIN-3-YL)ETHANAMINE
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Colorless liquid

3-Pyridineethaneamine Basic Attributes

Molecular Weight：

122.17

Exact Mass：

122.084396

BRN：

111288

EC Number：

-0

DSSTox ID：

DTXSID70357538

HScode：

29333990

Characteristics

PSA：

38.9

XLogP3：

-0.1

Density：

1.0±0.1 g/cm3

Boiling Point：

119-120°C19mm

Flash Point：

119-120°C/19mm

Refractive Index：

1.541

Water Solubility：

Slightly soluble in water.

Vapor Pressure：

0.0719mmHg at 25°C

Safety Information

Packing level：

Ⅲ

Hazard category：

Transport codes：

2735

wgk germany：

hazard class code：

34-41-37/38

safety instructions：

26-36/37/39-39

Marks：

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H315-H318-H335

GHS Classification：

|Danger|H314 (15.56%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-Pyridineethaneamine Use and Manufacturing

A mixture of 2-(pyridin-3-yl)acetonitrile (1 g, 8.47 mmol, 1.00 equiv), Raney nickel (1 g, 17.24 mmol, 1.00 equiv) and ammonium hydroxide (3 mL) in methanol (15 mL) was stirred under 1 atmosphere of hydrogen at room temperature overnight. The catalyst was removed by filtration through a pad of Celite and washed with several portions of methanol. The filtrate and washings were combined and concentrated under vacuum to give 940 mg (45percent) of 2-(pyridin-3-yl)ethanamine as a yellow oil. LC-MS: (ES, m/z): 164 [M+CHA mixture of 2-(pyridin-3-yl)acetonitrile (1 g, 8.47 mmol, 1.00 equiv), Raney nickel (1 g, 17.24 mmol, 1.00 equiv) and ammonium hydroxide (3 mL) in methanol (15 mL) was stirred under 1 atmosphere of hydrogen at room temperature overnight. The catalyst was removed by filtration through a pad of Celite and washed with several portions of methanol. The filtrate and washings were combined and concentrated under vacuum to give 940 mg (45percent) of 2-(pyridin-3-yl)ethanamine as a yellow oil. LC-MS: (ES, m/z): 164 [M+CHPREPARATIVE EXAMPLE 69

Computed Properties

Molecular Weight:122.17
XLogP3:-0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:122.084398327
Monoisotopic Mass:122.084398327
Topological Polar Surface Area:38.9
Heavy Atom Count:9
Complexity:73.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Ammonium hydroxide

Ethanol

Acetic acid

Benzene

Ammonia

Sulfuric acid

Thionyl chloride