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4542-47-6,MFCD00006178
Catalog No.:AA003I2F
4542-47-6 | 3-(4-Morpholino)propionitrile
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$15.00   $10.00
- +
5g
95%
in stock  
$29.00   $20.00
- +
25g
95%
in stock  
$100.00   $70.00
- +
100g
95%
in stock  
$381.00   $267.00
- +
500g
95%
in stock  
$1,747.00   $1,223.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA003I2F
Chemical Name:
3-(4-Morpholino)propionitrile
CAS Number:
4542-47-6
Molecular Formula:
C7H12N2O
Molecular Weight:
140.1830
MDL Number:
MFCD00006178
IUPAC Name:
3-morpholin-4-ylpropanenitrile
InChI:
InChI=1S/C7H12N2O/c8-2-1-3-9-4-6-10-7-5-9/h1,3-7H2
InChI Key:
WXVKGHVDWWXBJX-UHFFFAOYSA-N
SMILES:
N#CCCN1CCOCC1
EC Number:
224-894-9
Properties
Computed Properties
 
Complexity:
132  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.095g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.186g/mol
Monoisotopic Mass:
140.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  

Synonyms
 
4542-47-6 
3-Morpholinopropionitrile 
beta-Morpholinopropionitrile 
Propionitrile, 3-morpholino- 
3-(4-Morpholinopropiononitrile 
3-Morpholinopropiononitrile 
65876-26-8 
NSC 20547 
.beta.-Morpholinopropionitrile 
WXVKGHVDWWXBJX-UHFFFAOYSA-N 
MFCD00006178 
NSC 41718 
3-(4-Morpholino)propionitrile 
EINECS 224-894-9 
AI3-13188 
AC1L2UXC 
AC1Q4SCG 
AC1Q4SCH 
ACMC-1B4ZF 
SCHEMBL65392 
3-(4-Morpholino)propanitrile 
CHEMBL1193603 
DTXSID6063515 
3-morpholin-4-ylpropanenitrile 
3-(4-Morpholinyl)propanenitrile 
CTK1D5835 
3-(4-Morpholinyl)propanenitrile # 
ALBB-004605 
NSC20547 
NSC41718 
.beta.-(N-Morpholino)propanenitrile 
6254AB 
7550AE 
ANW-30274 
4-Morpholinepropanenitrile 
BBL013248 
NSC-20547 
NSC-41718 
SBB047442 
STK503251 
ZINC19472534 
AKOS000177672 
MCULE-1587435860 
NE41930 
RTR-022358 
3-(morpholin-4-yl)propanenitrile 
VZ26039 
KS-000014H6 
AJ-73604 
CS-10232 
ST2417375 
TR-022358 
FT-0616200 
FT-0679031 
ST50823691 
EN300-45279 
N-(2-Cyanoethyl)morpholine 
A826793 
I14-2359 
W-109983 
I14-30793 
Z53116547 
F1791-1553 
InChI=1/C7H12N2O/c8-2-1-3-9-4-6-10-7-5-9/h1,3-7H 
Morpholinopropionitrile 
C7H12N2O.ClH 
C7H12N2O 
Cyanoethylmorpholine 
C7-H12-N2-O.Cl-H 
VUFB-8733 
C7-H12-N2-O 
CID78298 
AR-1F4605 
c1185 
4-Morpholinepropanenitrile, monohydrochloride 
67952-93-6 
4-Morpholinepropionitrile 
3-morpholinopropanenitrile 
Literature
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