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1-Acetylpiperazine

1-Acetylpiperazine structure

CAS No:
13889-98-0
Formula:
C6H12N2O
Chemical Name:
1-Acetylpiperazine
Synonyms:
Ethanone,1-(1-piperazinyl)-;Piperazine,1-acetyl-;1-(1-Piperazinyl)ethanone;1-Acetylpiperazine;4-Acetylpiperazine;N-Acetylpiperazine;1-(Piperazinyl)ethanone;NSC 39649;N-Acetylpiperazin;1-(Piperazin-1-yl)ethanone;1-(Piperazin-1-yl)ethan-1-one;1-(Piperazine-1-yl)ethan-1-one
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

clear light yellow liquid after melting

1-Acetylpiperazine Basic Attributes

Molecular Weight：

128.17

Exact Mass：

128.17

BRN：

112220

EC Number：

237-659-0

NSC Number：

39649

DSSTox ID：

DTXSID80160833

HScode：

29339900

Characteristics

PSA：

32.3

XLogP3：

-0.9

Appearance：

Clear light yellow Liquid After Melting

Density：

1.0754 (rough estimate)

Melting Point：

218-220 °C

Boiling Point：

101-110 °C @ Press: 1 Torr

Flash Point：

>230 °F

Refractive Index：

1.4880 (estimate)

Water Solubility：

soluble in water 210 g/L (20°C).methanol: soluble 1g/10 mL, clear, colorless to faintly greenish-yellow

Storage Conditions：

2-8°C

Vapor Pressure：

0.0142mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/38-36/37/38

safety instructions：

26-36-37/39

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H315-H319

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 59 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1-Acetylpiperazine Use and Manufacturing

Intermediate of piperidine thiazole.

Computed Properties

Molecular Weight:128.17
XLogP3:-0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:128.094963011
Monoisotopic Mass:128.094963011
Topological Polar Surface Area:32.3
Heavy Atom Count:9
Complexity:108
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Magnesium sulfate heptahydrate

Tetrahydrofuran

Triethylamine

Sodium hydroxide

SODIUM SULFATE

Potassium carbonate

Acetic acid

Sodium sulfate

PETROLEUM ETHER

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