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119825-08-0 | 4H-Pyrano[3,2-h]quinoline-3-carbonitrile, 2-amino-4-phenyl-
CAS No: 119825-08-0 Catalog No: AG000PPZ MDL No:
Product Description
Catalog Number:
AG000PPZ
Chemical Name:
4H-Pyrano[3,2-h]quinoline-3-carbonitrile, 2-amino-4-phenyl-
CAS Number:
119825-08-0
Molecular Formula:
C19H13N3O
Molecular Weight:
299.3260
IUPAC Name:
2-amino-4-phenyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile
InChI:
InChI=1S/C19H13N3O/c20-11-15-16(12-5-2-1-3-6-12)14-9-8-13-7-4-10-22-17(13)18(14)23-19(15)21/h1-10,16H,21H2
InChI Key:
VNPNHFYNGHHFDS-UHFFFAOYSA-N
SMILES:
N#CC1=C(N)Oc2c(C1c1ccccc1)ccc1c2nccc1
NSC Number:
631583
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.106g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.333g/mol
Monoisotopic Mass:
299.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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