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102571-21-1 | Ethanaminium, N,N-diethyl-N-methyl-2-oxo-2-(9H-xanthen-9-ylamino)-, bromide (1:1)
CAS No: 102571-21-1 Catalog No: AG0007RX MDL No:
Product Description
Catalog Number:
AG0007RX
Chemical Name:
Ethanaminium, N,N-diethyl-N-methyl-2-oxo-2-(9H-xanthen-9-ylamino)-, bromide (1:1)
CAS Number:
102571-21-1
Molecular Formula:
C20H25BrN2O2
Molecular Weight:
405.3287
IUPAC Name:
diethyl-methyl-[2-oxo-2-(9H-xanthen-9-ylamino)ethyl]azanium;bromide
InChI:
InChI=1S/C20H24N2O2.BrH/c1-4-22(3,5-2)14-19(23)21-20-15-10-6-8-12-17(15)24-18-13-9-7-11-16(18)20;/h6-13,20H,4-5,14H2,1-3H3;1H
InChI Key:
HIIBYEWJDPOSHF-UHFFFAOYSA-N
SMILES:
CC[N+](CC(=O)NC1c2ccccc2Oc2c1cccc2)(CC)C.[Br-]
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.11g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
405.336g/mol
Monoisotopic Mass:
404.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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