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6-PIPERAZINONICOTINONITRILE

6-PIPERAZINONICOTINONITRILE structure

CAS No:
149554-29-0
Formula:
C10H12N4
Chemical Name:
6-PIPERAZINONICOTINONITRILE
Synonyms:
2-(PIPERAZIN-1-YL)-5-PYRIDINECARBONITRILE, 6-PIPERAZINONICOTINONITRILE;6-Piperazinonicotinonitrile, tech;3-Pyridinecarbonitrile,6-(1-piperazinyl)-(9CI);2-(PIPERAZIN-1-YL)-5-PYRIDINECARBONITRILE, 6-PIPERAZINONICOTINONITRILE >98%;BUTTPARK 37\12-47;2-(PIPERAZIN-1-YL)-5-PYRIDINECARBONITRILE;2-(1-PIPERAZINO)PYRIDINE-5-CARBONITRILE;6-PIERAZINONICOTINONITRILE
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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6-PIPERAZINONICOTINONITRILE Basic Attributes

Molecular Weight：

188.23

Exact Mass：

188.106196400

DSSTox ID：

DTXSID10371899

HScode：

2933599090

Characteristics

PSA：

51.95000

XLogP3：

0.75668

Density：

1.22±0.1 g/cm3

Melting Point：

131 °C

Boiling Point：

403.2±40.0 °C(Predicted)

Flash Point：

197.6ºC

Refractive Index：

1.605

Vapor Pressure：

1.04E-06mmHg at 25°C

PKA：

8.47±0.10

Safety Information

Hazard category：

IRRITANT

Transport codes：

3439

hazard class code：

20/21/22-36/37/38-25

safety instructions：

26-36/37/39-45-24/25-23

Marks：

Xi,T

GHS Classification：

|Warning|H302+H312+H332 (33.33%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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.

Computed Properties

Molecular Weight:188.23
XLogP3:0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:188.106196400
Monoisotopic Mass:188.106196400
Topological Polar Surface Area:52
Heavy Atom Count:14
Complexity:226
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6-PIPERAZINONICOTINONITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties
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