3-[(Dimethylamino)methyl]benzofuran-2-carboxylic Acid Hydrochloride - CAS 1163245-85-9
Catalog: |
BB003740 |
Product Name: |
3-[(Dimethylamino)methyl]benzofuran-2-carboxylic Acid Hydrochloride |
CAS: |
1163245-85-9 |
Synonyms: |
3-[(dimethylamino)methyl]-2-benzofurancarboxylic acid;hydrochloride; 3-[(dimethylamino)methyl]-1-benzofuran-2-carboxylic acid;hydrochloride |
IUPAC Name: | 3-[(dimethylamino)methyl]-1-benzofuran-2-carboxylic acid;hydrochloride |
Description: | 3-[(Dimethylamino)methyl]benzofuran-2-carboxylic Acid Hydrochloride (CAS# 1163245-85-9) is a useful research chemical. |
Molecular Weight: | 255.70 |
Molecular Formula: | C12H14ClNO3 |
Canonical SMILES: | CN(C)CC1=C(OC2=CC=CC=C21)C(=O)O.Cl |
InChI: | InChI=1S/C12H13NO3.ClH/c1-13(2)7-9-8-5-3-4-6-10(8)16-11(9)12(14)15;/h3-6H,7H2,1-2H3,(H,14,15);1H |
InChI Key: | PWBSTLSGSWVEHJ-UHFFFAOYSA-N |
LogP: | 2.99460 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2005118584-A2 | Saframycin analogs as therapeutic agents in the treatment of cancer | 20040526 |
Complexity: | 267 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 255.0662210 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.0662210 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 53.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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