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2-PIPERIDINOETHYLISOTHIOCYANATE

2-PIPERIDINOETHYLISOTHIOCYANATE structure

CAS No:
32813-24-4
Formula:
C8H14N2S
Chemical Name:
2-PIPERIDINOETHYLISOTHIOCYANATE
Synonyms:
2-(1-PIPERIDINO)ETHYL ISOTHIOCYANATE;2-PIPERIDINOETHYL ISOTHIOCYANATE;N-2-(Isothiocyanatoethyl)piperidine;-(1-Piperidino)ethyl isothiocyanate;1-(2-Isothiocyanatoethyl)-piperidine;2-Piperidinoethyl isothiocyate, 98%;2-(1-Piperidinyl)ethyl isothiocyanate, 97%;Piperidine, 1-(2-isothiocyanatoethyl)-

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2-PIPERIDINOETHYLISOTHIOCYANATE Basic Attributes

Molecular Weight：

170.28

Exact Mass：

170.08776963

EC Number：

624-290-9

DSSTox ID：

DTXSID10375170

Characteristics

Density：

1.030 g/mL at 25 °C(lit.)

Boiling Point：

104-105 °C(lit.)

Refractive Index：

n20/D 1.5350(lit.)

PKA：

8.49±0.10

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 2810 6.1/PG 3

wgk germany：

hazard class code：

25-36/37/38

safety instructions：

26-36/37/39-45

Marks：

GHS Classification：

|Danger|H301 (88.37%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, 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 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-PIPERIDINOETHYLISOTHIOCYANATE Use and Manufacturing

Reactant for synthesis of:• ;Urea and thiourea derivatvies as antmalarial chemotherapeutics1• ;Neuropeptides S antagonist2• ;N-substituted imidazoles3• ;Thio-containing compounds4

Computed Properties

Molecular Weight:170.28
XLogP3:2.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:170.08776963
Monoisotopic Mass:170.08776963
Topological Polar Surface Area:47.7
Heavy Atom Count:11
Complexity:146
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-PIPERIDINOETHYLISOTHIOCYANATE

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties

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