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1-(2-Furoyl)piperazine

1-(2-Furoyl)piperazine structure

CAS No:
40172-95-0
Formula:
C9H12N2O2
Chemical Name:
1-(2-Furoyl)piperazine
Synonyms:
Methanone,2-furanyl-1-piperazinyl-;Piperazine,1-(2-furanylcarbonyl)-;2-Furanyl-1-piperazinylmethanone;N-(2-Furoyl)piperazine;1-(2-Furoyl)piperazine;1-(2-Furylcarbonyl)piperazine;1-(2-Furanylcarbonyl)piperazine;1-(Furan-2-carbonyl)piperazine;(Furan-2-yl)(piperazin-1-yl)methanone;4-(Furan-2-ylcarbonyl)piperazine;N-(2-Furancarbonyl)piperazine;N-(Furan-2-oyl)piperazine;1-(2-Furanoyl)piperazine
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Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

white to light yellow solid

1-(2-Furoyl)piperazine Basic Attributes

Molecular Weight：

180.207

Exact Mass：

180.20

EC Number：

254-823-7

UNII：

8AUX72LL1P

DSSTox ID：

DTXSID7057735

HScode：

2934999090

Characteristics

PSA：

45.5

XLogP3：

-0.17

Density：

1.2±0.1 g/cm3

Melting Point：

67-70 °C(lit.)

Boiling Point：

137-140 °C @ Press: 0.1 Torr

Flash Point：

147.5±25.1 °C

Refractive Index：

1.529

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36-S24/25

Marks：

Xi:Irritant;

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (98.89%): 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 90 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1-(2-Furoyl)piperazine Use and Manufacturing

2-Furanyl-1-piperazinylmethanone was utilized in the fragment-based design of symmetrical bis-benzimidazole as inhibitors of R67 dihydrofolate reductase.

Computed Properties

Molecular Weight:180.20
XLogP3:0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:180.089877630
Monoisotopic Mass:180.089877630
Topological Polar Surface Area:45.5
Heavy Atom Count:13
Complexity:190
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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1-(2-Furoyl)piperazine

CAS No.: 40172-95-0

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