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METHYL 5-METHYLNICOTINATE

METHYL 5-METHYLNICOTINATE structure

CAS No:
29681-45-6
Formula:
C8H9NO2
Chemical Name:
METHYL 5-METHYLNICOTINATE
Synonyms:
METHYL 5-METHYLNICOTINATE;Methyl 5-methylpyridine-3-carboxylate~5-Methylnicotinic acid methyl ester;3-Pyridinecarboxylicacid,5-methyl-,methylester(9CI);Methyl 5-methylpyridine-3-carboxylate;5-methylnicotin methyl ester;5-Methyl-nicotinic acid methylester;Methyl 5-methylpyridine-3-carboxylate, 3-(Methoxycarbonyl)-5-methylpyridine;Methyl5-methylnicotinate,94%
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

METHYL 5-METHYLNICOTINATE is White Crystalline Solid

METHYL 5-METHYLNICOTINATE Basic Attributes

Molecular Weight：

151.16

Exact Mass：

151.063324

BRN：

472498

NSC Number：

83076

DSSTox ID：

DTXSID60292469

Characteristics

PSA：

39.2

XLogP3：

1.1

Density：

1.1±0.1 g/cm3

Melting Point：

46-48°C

Boiling Point：

90°C3mm

Flash Point：

90°C/3mm

Refractive Index：

1.510

Water Solubility：

Soluble in Chloroform and Methanol.

Safety Information

Hazard category：

IRRITANT

hazard class code：

36/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

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

Hazard Statements：

H315

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 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

METHYL 5-METHYLNICOTINATE Use and Manufacturing

A metabolite of Nicotine. Used for the synthesis of (5-methylpyridin-3-yl)methanol, a key intermediate of Rupatadine fumarate.

Computed Properties

Molecular Weight:151.16
XLogP3:1.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:151.063328530
Monoisotopic Mass:151.063328530
Topological Polar Surface Area:39.2
Heavy Atom Count:11
Complexity:147
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 29681-45-6

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Guide of METHYL 5-METHYLNICOTINATE

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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METHYL 5-METHYLNICOTINATE

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