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3-Pyridineacetic acid

3-Pyridineacetic acid structure

CAS No:
501-81-5
Formula:
C7H7NO2
Chemical Name:
3-Pyridineacetic acid
Synonyms:
3-Pyridineacetic acid;3-Pyridylacetic acid;Toneon;Coletin;Lessterol;Lioxone;Minedil;Piridil;Piristerol;2-(3-Pyridyl)acetic acid;α-(3-Pyridyl)acetic acid;Pyridin-3-ylacetic acid;2-(Pyridin-3-yl)acetic acid;3-Carboxymethylpyridine;NSC 70769
Categories:
Pharmaceutical Intermediates > Metabolic Bone Disease

Description

3-Pyridineacetic acid is a higher homologue of nicotinic acid, a breakdown product of nicotine (and other tobacco alkaloids).

Solid

3-pyridylacetic acid is a monocarboxylic acid that is acetic acid substituted by a (pyridin-3-yl) group. It is a metabolite of nicotine and other tobacco alkaloids. It has a role as a human xenobiotic metabolite. It is a member of pyridines and a monocarboxylic acid.

3-Pyridineacetic acid Basic Attributes

Molecular Weight：

137.136

Exact Mass：

137.14

EC Number：

229-148-6

UNII：

7UFO07435N

NSC Number：

70769

DSSTox ID：

DTXSID3060110

HScode：

2933399090

Characteristics

PSA：

50.19000

XLogP3：

0.01

Appearance：

Solid

Density：

1.2±0.1 g/cm3

Melting Point：

144 °C

Boiling Point：

301.6±17.0 °C at 760 mmHg

Flash Point：

136.2±20.9 °C

Refractive Index：

1.557

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26-S36/37/39

Marks：

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 203 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

Metabolism/Metabolites：

3-Pyridilacetic Acid is a known thirdhand smoke metabolite of Nicotine.

MeSH Entry Terms：

2-(3-pyridine)acetic acid

3-Pyridineacetic acid Use and Manufacturing

Manufacturing Info：

3-Pyridineacetic acid: ACTIVE

Computed Properties

Molecular Weight:137.14
XLogP3:-0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:137.047678466
Monoisotopic Mass:137.047678466
Topological Polar Surface Area:50.2
Heavy Atom Count:10
Complexity:125
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 501-81-5

Grade: Pharmaceutical Grade

Content: 99%

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