Methyl 3-(aminomethyl)benzoate hydrochloride - CAS 17841-68-8
Catalog: |
BB013462 |
Product Name: |
Methyl 3-(aminomethyl)benzoate hydrochloride |
CAS: |
17841-68-8 |
Synonyms: |
3-(aminomethyl)benzoic acid methyl ester;hydrochloride; methyl 3-(aminomethyl)benzoate;hydrochloride |
IUPAC Name: | methyl 3-(aminomethyl)benzoate;hydrochloride |
Description: | Methyl 3-(aminomethyl)benzoate hydrochloride (CAS# 17841-68-8) is a useful research chemical. |
Molecular Weight: | 201.65 |
Molecular Formula: | C9H12ClNO2 |
Canonical SMILES: | COC(=O)C1=CC(=CC=C1)CN.Cl |
InChI: | InChI=1S/C9H11NO2.ClH/c1-12-9(11)8-4-2-3-7(5-8)6-10;/h2-5H,6,10H2,1H3;1H |
InChI Key: | UOWRPTFJISFGPI-UHFFFAOYSA-N |
Boiling Point: | 279.8 °C at 760 mmHg |
Melting Point: | 179-181 °C |
Purity: | 98 % |
MDL: | MFCD04039173 |
LogP: | 2.43420 |
GHS Hazard Statement: | H302 (16.67%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111763201-A | Benzothiazole compound and medical application thereof | 20200303 |
CN-112812111-A | Benzothiazole compound and medical application thereof | 20200303 |
WO-2021175234-A1 | Benzothiazole compound and medical use | 20200303 |
WO-2020145227-A1 | Complex comprising ligand, spacer, peptide linker, and biomolecule | 20190107 |
WO-2020145228-A1 | Complex comprising ligand and ceacam5 antibody fab fragment | 20190107 |
Complexity: | 159 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.0556563 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.0556563 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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