| CAS Number | 1274892-48-6 |
| Catalog Number | AG000X3Q(AGN-PC-0WCXWH) |
| Chemical Name | Phenol, 3-(ethylamino)-, sulfate (2:1) |
| 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 |
| MDL Number | MFCD03093630 |
| Molecular Formula | C16H24N2O6S |
| Molecular Weight | 372.4366 |
| SMILES | OC1=CC=CC(NCC)=C1.O=S(O)(O)=O.OC2=CC=CC(NCC)=C2 |
| Synonyms | 3-(Ethylamino)phenol Hemisulfate,
1274892-48-6,
C16H24N2O6S,
3-Ethylaminophenol hemisulfate,
3-(Ethylamino)phenolHemisulfate,
DTXSID30659904,
KS-000016WK,
MFCD03093630,
AK176130,
AS-18104,
Phenol, 3-(ethylamino)-, sulfate (2:1),
E0534,
Sulfuric acid--3-(ethylamino)phenol (1/2),
W2908,
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| 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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Certificate of Analysis
Lot Number