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114246-77-4 | 5H-Benzo[a]phenoxazin-5-one, 10-(2-aminoethyl)-, nitrate (1:1)
CAS No: 114246-77-4 Catalog No: AG000AWN MDL No:
Product Description
Catalog Number:
AG000AWN
Chemical Name:
5H-Benzo[a]phenoxazin-5-one, 10-(2-aminoethyl)-, nitrate (1:1)
CAS Number:
114246-77-4
Molecular Formula:
C18H15N3O5
Molecular Weight:
353.3288
IUPAC Name:
10-(2-aminoethyl)benzo[a]phenoxazin-5-one;nitric acid
InChI:
InChI=1S/C18H14N2O2.HNO3/c19-8-7-11-5-6-16-14(9-11)20-18-13-4-2-1-3-12(13)15(21)10-17(18)22-16;2-1(3)4/h1-6,9-10H,7-8,19H2;(H,2,3,4)
InChI Key:
JULPTTNGWQVPFN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)O.NCCc1ccc2c(c1)nc1c(o2)cc(=O)c2c1cccc2
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.101g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
353.334g/mol
Monoisotopic Mass:
353.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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