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116143-27-2 | 2-Morpholinemethanamine
CAS No: 116143-27-2 Catalog No: AG000BR3 MDL No:MFCD03990581
Product Description
Catalog Number:
AG000BR3
Chemical Name:
2-Morpholinemethanamine
CAS Number:
116143-27-2
Molecular Formula:
C5H12N2O
Molecular Weight:
116.1616
MDL Number:
MFCD03990581
IUPAC Name:
morpholin-2-ylmethanamine
InChI:
InChI=1S/C5H12N2O/c6-3-5-4-7-1-2-8-5/h5,7H,1-4,6H2
InChI Key:
OXYALYJRWGRVAM-UHFFFAOYSA-N
SMILES:
NCC1CNCCO1
Properties
Complexity:
67.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.095g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
116.164g/mol
Monoisotopic Mass:
116.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
Literature
| Title | Journal |
|---|---|
| Structure-guided evolution of potent and selective CHK1 inhibitors through scaffold morphing. | Journal of medicinal chemistry 20111222 |
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