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138310-93-7 | 3-Pyridinecarbonitrile, 2-[[2-(4-morpholinyl)ethyl]amino]-
CAS No: 138310-93-7 Catalog No: AG0018I5 MDL No:
Product Description
Catalog Number:
AG0018I5
Chemical Name:
3-Pyridinecarbonitrile, 2-[[2-(4-morpholinyl)ethyl]amino]-
CAS Number:
138310-93-7
Molecular Formula:
C12H16N4O
Molecular Weight:
232.2816
IUPAC Name:
2-(2-morpholin-4-ylethylamino)pyridine-3-carbonitrile
InChI:
InChI=1S/C12H16N4O/c13-10-11-2-1-3-14-12(11)15-4-5-16-6-8-17-9-7-16/h1-3H,4-9H2,(H,14,15)
InChI Key:
YSOLIQNRYYEVQW-UHFFFAOYSA-N
SMILES:
N#Cc1cccnc1NCCN1CCOCC1
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.132g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.287g/mol
Monoisotopic Mass:
232.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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