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5351-04-2 | 3-(DIETHYLAMINO)PROPIONITRILE
CAS No: 5351-04-2 Catalog No: AG003I7L MDL No:MFCD00013820
Product Description
Catalog Number:
AG003I7L
Chemical Name:
3-(DIETHYLAMINO)PROPIONITRILE
CAS Number:
5351-04-2
Molecular Formula:
C7H14N2
Molecular Weight:
126.1995
MDL Number:
MFCD00013820
IUPAC Name:
3-(diethylamino)propanenitrile
InChI:
InChI=1S/C7H14N2/c1-3-9(4-2)7-5-6-8/h3-5,7H2,1-2H3
InChI Key:
LFFKXGFSDGRFQA-UHFFFAOYSA-N
SMILES:
CCN(CCC#N)CC
EC Number:
226-323-9
UNII:
AZT87H1OVI
Properties
Complexity:
96.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.116g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.203g/mol
Monoisotopic Mass:
126.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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