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32813-50-6,MFCD00041222
Catalog No.:AA003I2G
32813-50-6 | 4-(3-Isothiocyanatopropyl)morpholine
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
1 week  
$175.00   $123.00
- +
5g
98%
1 week  
$208.00   $145.00
- +
25g
98%
1 week  
$325.00   $228.00
- +
100g
98%
1 week  
$697.00   $488.00
- +
  • Technical Information
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  • Technical Information
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  • Literature
Technical Information
Catalog Number:
AA003I2G
Chemical Name:
4-(3-Isothiocyanatopropyl)morpholine
CAS Number:
32813-50-6
Molecular Formula:
C8H14N2OS
Molecular Weight:
186.2746
MDL Number:
MFCD00041222
IUPAC Name:
4-(3-isothiocyanatopropyl)morpholine
InChI:
InChI=1S/C8H14N2OS/c12-8-9-2-1-3-10-4-6-11-7-5-10/h1-7H2
InChI Key:
BCEFDMYFAAAFPE-UHFFFAOYSA-N
SMILES:
S=C=NCCCN1CCOCC1
Properties
Computed Properties
 
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.083g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.273g/mol
Monoisotopic Mass:
186.083g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
56.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Synonyms
 
3-morpholinopropyl isothiocyanate 
3MP-ITC 
SCHEMBL1456965 
CTK4G9374 
DTXSID20186491 
ALBB-013072 
BB_SC-01805 
ZX-AN011860 
3-morpholin-4-ylpropanisothiocyanate 
BBL027972 
STK803198 
ZINC19702060 
3-Morpholinopropyl isothiocyanate 
AKOS000343326 
3-(4-morpholinyl)propyl isothiocyanate 
3-(morpholin-4-yl)propylisothiocyanate 
FS-4152 
MCULE-4506693240 
4-(3-isothiocyanato-propyl)-morpholine 
4-(3-Isothiocyanatopropyl)morpholine # 
ACM32813506 
Morpholine,4-(3-isothiocyanatopropyl)- 
Morpholine, 4-(3-isothiocyanatopropyl)- 
32813-50-6 
BBV-34551242 
TR-013769 
3-(4-Morpholino)propyl isothiocyanate, 95% 
BB 0256527 
FT-0616201 
FT-0616202 
ST50825258 
A821436 
I09-3242 
J-018893 
4-(3-Isothiocyanatopropyl)morpholine 
3MP-ITC 
3- PROPYLISOTHIOCYANATE 
CID141745 
R1702 
C527796 
3-(4-Morpholino)propyl isothiocyanate, 98% - 1G 1g 
3-(4-Morpholino)propyl isothiocyanate 
BCEFDMYFAAAFPE-UHFFFAOYSA-N 
MFCD00041222 
AC1L3JQ2 
3-morpholinopropylisothiocyanate 
Literature

Title: Benzo[a]pyrene increases the Nrf2 content by downregulating the Keap1 message.

Journal: Toxicological sciences : an official journal of the Society of Toxicology 20100801

Title: Anti-NF-kappaB and anti-inflammatory activities of synthetic isothiocyanates: effect of chemical structures and cellular signaling.

Journal: Chemico-biological interactions 20090515

Title: 3-Morpholinopropyl isothiocyanate is a novel synthetic isothiocyanate that strongly induces the antioxidant response element-dependent Nrf2-mediated detoxifying/antioxidant enzymes in vitro and in vivo.

Journal: Carcinogenesis 20080301

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