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Nicotyrine

Nicotyrine structure

CAS No:
487-19-4
Formula:
C10H10N2
Chemical Name:
Nicotyrine
Synonyms:
Pyridine,3-(1-methyl-1H-pyrrol-2-yl)-;Pyridine,3-(1-methylpyrrol-2-yl)-;Nicotyrine;3-(1-Methyl-1H-pyrrol-2-yl)pyridine;β-Nicotyrine;3-(1-Methyl-2-pyrrolyl)pyridine;3,2′-Nicotyrine;1-Methyl-2-(3-pyridyl)pyrrole;NSC 127943;NSC 407276;30813-25-3
Categories:
Analytical Chemistry > Standard

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Description

Clear Light Red-Brown Oil

Nicotyrine is a member of pyridines.

Nicotyrine Basic Attributes

Molecular Weight：

158.2

Exact Mass：

158.20

EC Number：

207-651-1

UNII：

XN4R1LH79Y

NSC Number：

407276|127943

DSSTox ID：

DTXSID3075048

HScode：

2939800000

Characteristics

PSA：

17.8

XLogP3：

1.80

Density：

1.0±0.1 g/cm3

Melting Point：

168-169 °C

Boiling Point：

281 °C

Flash Point：

124.8±20.4 °C

Refractive Index：

1.581

Storage Conditions：

-20°C Freezer, Under Inert Atmosphere

Vapor Pressure：

0.00561mmHg at 25°C

Safety Information

Stability/Shelf Life：

Light, Air Sensitive

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|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, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-(1-methyl-2-pyrryl)pyridine

Nicotyrine Use and Manufacturing

Nicotryrine is an alkaloid derived from the dehydrogenation of nicotine and its analog, nornicotine. An alkaloid occurring in cigaret smoke.

Computed Properties

Molecular Weight:158.20
XLogP3:1.3
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:158.084398327
Monoisotopic Mass:158.084398327
Topological Polar Surface Area:17.8
Heavy Atom Count:12
Complexity:147
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes