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1274892-48-6 | Phenol, 3-(ethylamino)-, sulfate (2:1)
CAS No: 1274892-48-6 Catalog No: AG000X3Q MDL No:MFCD03093630
Product Description
Catalog Number:
AG000X3Q
Chemical Name:
Phenol, 3-(ethylamino)-, sulfate (2:1)
CAS Number:
1274892-48-6
Molecular Formula:
C16H24N2O6S
Molecular Weight:
372.4366
MDL Number:
MFCD03093630
IUPAC Name:
3-(ethylamino)phenol;sulfuric acid
InChI:
InChI=1S/2C8H11NO.H2O4S/c2*1-2-9-7-4-3-5-8(10)6-7;1-5(2,3)4/h2*3-6,9-10H,2H2,1H3;(H2,1,2,3,4)
InChI Key:
CLHKUUQJWJTXSF-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.CCNc1cccc(c1)O.CCNc1cccc(c1)O
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.136g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
372.436g/mol
Monoisotopic Mass:
372.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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