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1-Methylpyrrolidine

1-Methylpyrrolidine structure

CAS No:
120-94-5
Formula:
C5H11N
Chemical Name:
1-Methylpyrrolidine
Synonyms:
Pyrrolidine,1-methyl-;1-Methylpyrrolidine;N-Methylpyrrolidine;N-Methyltetrahydropyrrole;NSC 65579
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

CLEAR COLOURLESS LIQUID

1-Methylpyrrolidine Basic Attributes

Molecular Weight：

85.15

Exact Mass：

85.15

EC Number：

204-438-5

UNII：

06509TZU6C

NSC Number：

65579

UN Number：

1993

DSSTox ID：

DTXSID8042210

HScode：

2933 99 80

Characteristics

PSA：

3.24000

XLogP3：

0.76

Appearance：

clear to yellow liquid

Density：

1.0450 g/cm³ @ Temp: 9.8 °C

Melting Point：

79 °C @ Solvent: Diethyl ether

Boiling Point：

81 °C

Flash Point：

−7 °F

Refractive Index：

n 20/D 1.425

Water Solubility：

H2O: 213g/l

Storage Conditions：

Flammables area

Vapor Pressure：

100 hPa (20 °C)

Toxicity：

LD50 orally in Rabbit: 280 mg/kg

Explosive limit：

1.1-9.1%(V)

Henrys Law Constant：

3.01e-05 atm-m3/mole

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 2924 3/PG 2

wgk germany：

hazard class code：

R11;R20/22;R35;R51/53

safety instructions：

16-26-36/37/39-45-61-29

RTECS Number：

UY1420500

Marks：

F,C,N

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P210-P280-P305 + P351 + P338-P310

Hazard Statements：

H225-H302-H314

Fire Hazards：

Flammable - 3rd degree, Reactive - 1st degree

GHS Classification：

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P273, P280, P301+P310, P301+P312, P301+P330+P331, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P330, P363, P370+P378, P391, P403+P235, P405, and P501|Aggregated GHS information provided by 234 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1-methylpyrrolidine

1-Methylpyrrolidine Use and Manufacturing

Uses

A methylated pyrollidine which is an essential part of the structure of Cefipime (C242750) often analyzed via ion chromatography. A cigarette smoke constitutent.

Manufacturing Info：

Pyrrolidine, 1-methyl-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Fire Hazards -> Flammable - 3rd degree, Reactive - 1st degree|Cosmetics -> Surfactant

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:85.15
XLogP3:0.9
Hydrogen Bond Acceptor Count:1
Exact Mass:85.089149355
Monoisotopic Mass:85.089149355
Topological Polar Surface Area:3.2
Heavy Atom Count:6
Complexity:37.2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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