2-(Aminomethyl)benzoic acid hydrochloride - CAS 10017-39-7
Catalog: |
BB000115 |
Product Name: |
2-(Aminomethyl)benzoic acid hydrochloride |
CAS: |
10017-39-7 |
Synonyms: |
2-(aminomethyl)benzoic acid;hydrochloride |
IUPAC Name: | 2-(aminomethyl)benzoic acid;hydrochloride |
Description: | 2-(Aminomethyl)benzoic acid hydrochloride (CAS# 10017-39-7) is a useful research chemical. |
Molecular Weight: | 187.62 |
Molecular Formula: | C8H10ClNO2 |
Canonical SMILES: | C1=CC=C(C(=C1)CN)C(=O)O.Cl |
InChI: | InChI=1S/C8H9NO2.ClH/c9-5-6-3-1-2-4-7(6)8(10)11;/h1-4H,5,9H2,(H,10,11);1H |
InChI Key: | HWHUNDJAGYQZHL-UHFFFAOYSA-N |
Purity: | 95 % |
Appearance: | Solid |
Storage: | Inert atmosphere, Room Temperature |
MDL: | MFCD09028989 |
LogP: | 2.34580 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P391, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2019136112-A1 | Inhibitors of indoleamine 2,3-dioxygenase and methods of their use | 20180105 |
WO-2019054430-A1 | AMIDE COMPOUND HAVING AROMATIC HETEROCYLCLE | 20170914 |
EP-3152188-A1 | Novel ep4 agonists as therapeutic compounds | 20140606 |
WO-2015188152-A1 | Novel ep4 agonists as therapeutic compounds | 20140606 |
WO-2012120398-A1 | Aryl substituted carboxamide derivatives as trpm8 modulators | 20110304 |
PMID | Publication Date | Title | Journal |
17988865 | 20080515 | Synthesis and evaluation of novel aromatic substrates and competitive inhibitors of GABA aminotransferase | Bioorganic & medicinal chemistry letters |
Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.0400063 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.0400063 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 63.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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