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Merck
CN

560464

3-(4-Morpholino)propyl isothiocyanate

95%

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About This Item

Empirical Formula (Hill Notation):
C8H14N2OS
CAS Number:
32813-50-6
Molecular Weight:
186.27
NACRES:
NA.22
PubChem Substance ID:
24879867
UNSPSC Code:
12352100
MDL number:
MFCD00041222
Assay:
95%

Key Documents

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InChI

1S/C8H14N2OS/c12-8-9-2-1-3-10-4-6-11-7-5-10/h1-7H2

SMILES string

S=C=NCCCN1CCOCC1

InChI key

BCEFDMYFAAAFPE-UHFFFAOYSA-N

assay

95%

refractive index

n20/D 1.5303 (lit.)

density

1.094 g/mL at 25 °C (lit.)

storage temp.

2-8°C

Application

3-(4-Morpholino)propyl isothiocyanate may be used to synthesize (R,S)-(3-morpholin-4-yl-propyl)-thiocarbamic acid O-(5-[1,2] dithiolan-3-yl-pentyl) ester hydrochloride and N-(3-N,N-dimethylaminopropyl-N′-3-(4-morpholino)propylthiourea.

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Danger

Hazard Classifications

Acute Tox. 4 Oral - Eye Dam. 1 - Resp. Sens. 1 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

230.0 °F - closed cup

flash_point_c

110 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
04001MA

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Claude Guillonneau et al.
European journal of medicinal chemistry, 38(1), 1-11 (2003-02-21)
Molecules containing a dithiolane moiety are widely investigated due to their antioxidant properties. The archetypal representative of this class of compounds is lipoic acid and indeed the lipoic acid-dihydrolipoic acid couple is part of the antioxidant defence system of the
Synthesis of Novel Fluorescent Reagents with a Carbodiimide Moiety and Their Applications for DNA Probe.
Tachikawa T, et al.
J. Photopolym. Sci. Technol., 11(1), 19-22 (1998)

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