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Home > Encyclopedia > 3-Morpholinopropyl isothiocyanate

3-Morpholinopropyl isothiocyanate

3-Morpholinopropyl isothiocyanate structure

3-Morpholinopropyl isothiocyanate 

structure
  • CAS No:

    32813-50-6

  • Formula:

    C8H14N2OS

  • Chemical Name:

    3-Morpholinopropyl isothiocyanate

  • Synonyms:

    Morpholine,4-(3-isothiocyanatopropyl)-;Isothiocyanic acid,3-morpholinopropyl ester;4-(3-Isothiocyanatopropyl)morpholine;3-Morpholinopropyl isothiocyanate;3-(4-Morpholinyl)propyl isothiocyanate

3-Morpholinopropyl isothiocyanate Basic Attributes

186.27

186.27

DTXSID20186491

2934999090

Characteristics

56.92000

0.74940

1.094 g/mL at 25 °C (lit.)

183 °C

137.5ºC

n20/D 1.5303(lit.)

Safety Information

II

6.1

2927

3

22-36/37/38

26-36

Xn,Xi

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P285, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P304+P341, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P342+P311, 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.

Drug Information

3-morpholinopropyl isothiocyanate

Computed Properties

Molecular Weight:186.28
XLogP3:1.6
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:186.08268425
Monoisotopic Mass:186.08268425
Topological Polar Surface Area:56.9
Heavy Atom Count:12
Complexity:162
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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