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19068-80-5 | 1-Propanol, 3-(2-pyridinylamino)-
CAS No: 19068-80-5 Catalog No: AG002EQE MDL No:MFCD09029730
Product Description
Catalog Number:
AG002EQE
Chemical Name:
1-Propanol, 3-(2-pyridinylamino)-
CAS Number:
19068-80-5
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
MDL Number:
MFCD09029730
IUPAC Name:
3-(pyridin-2-ylamino)propan-1-ol
InChI:
InChI=1S/C8H12N2O/c11-7-3-6-10-8-4-1-2-5-9-8/h1-2,4-5,11H,3,6-7H2,(H,9,10)
InChI Key:
QTTQBQLTBUGHCD-UHFFFAOYSA-N
SMILES:
OCCCNc1ccccn1
Properties
Complexity:
98.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
152.197g/mol
Monoisotopic Mass:
152.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Design, synthesis, and biological evaluation of novel potent and selective alphavbeta3/alphavbeta5 integrin dual inhibitors with improved bioavailability. Selection of the molecular core. | Journal of medicinal chemistry 20050224 |
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