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158913-21-4 | Benzoic acid, 4-nitro-2-[(3-phenylpropyl)amino]-
CAS No: 158913-21-4 Catalog No: AG001R0L MDL No:
Product Description
Catalog Number:
AG001R0L
Chemical Name:
Benzoic acid, 4-nitro-2-[(3-phenylpropyl)amino]-
CAS Number:
158913-21-4
Molecular Formula:
C16H16N2O4
Molecular Weight:
300.3092
IUPAC Name:
4-nitro-2-(3-phenylpropylamino)benzoate
InChI:
InChI=1S/C16H16N2O4/c19-16(20)14-9-8-13(18(21)22)11-15(14)17-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,17H,4,7,10H2,(H,19,20)/p-1
InChI Key:
OTSBHGGBOIOBCD-UHFFFAOYSA-M
SMILES:
OC(=O)c1ccc(cc1NCCCc1ccccc1)[N+](=O)[O-]
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.103g/mol
Formal Charge:
-1
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.306g/mol
Monoisotopic Mass:
299.103g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Literature
| Title | Journal |
|---|---|
| Adrenergic regulation of ion transport across adult alveolar epithelial cells: effects on Cl- channel activation and transport function in cultures with an apical air interface. | The Journal of membrane biology 20010601 |
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