5-(Ethylamino)-1,3-benzenedimethanol - CAS 959011-52-0
Catalog: |
BB041874 |
Product Name: |
5-(Ethylamino)-1,3-benzenedimethanol |
CAS: |
959011-52-0 |
Synonyms: |
[3-(ethylamino)-5-(hydroxymethyl)phenyl]methanol; [3-(ethylamino)-5-(hydroxymethyl)phenyl]methanol |
IUPAC Name: | [3-(ethylamino)-5-(hydroxymethyl)phenyl]methanol |
Description: | 5-(Ethylamino)-1,3-benzenedimethanol (CAS# 959011-52-0 ) is a useful research chemical. |
Molecular Weight: | 181.23 |
Molecular Formula: | C10H15NO2 |
Canonical SMILES: | CCNC1=CC(=CC(=C1)CO)CO |
InChI: | InChI=1S/C10H15NO2/c1-2-11-10-4-8(6-12)3-9(5-10)7-13/h3-5,11-13H,2,6-7H2,1H3 |
InChI Key: | YFQZJXBAGREMBH-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
EP-3100745-B1 | Novel benzodiazepine derivatives | 20090205 |
Complexity: | 129 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.110278721 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.110278721 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 52.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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