Metabutethamine hydrochloride

Base Information

• Chemical Name: Metabutethamine hydrochloride
• CAS No.: 553-58-2
• Molecular Formula: C13H20 N2 O2 . Cl H
• Molecular Weight: 272.77104
• NSC Number: 41532
• UNII: 36IME48STO
• DSSTox Substance ID: DTXSID30203825
• Wikidata: Q27256570
• NCI Thesaurus Code: C81397
• ChEMBL ID: CHEMBL2106833
• Mol file: 553-58-2.mol

Synonyms:Metabutethamine hydrochloride;Unacaine;Metabutethamine HCl;Unacaine hydrochloride;553-58-2;2-Isobutylaminoethyl m-aminobenzoate hydrochloride;Metabutethamine hydrochloride [NF];Butethamine meta-isomer hydrochloride;NSC 41532;NSC-41532;UNII-36IME48STO;36IME48STO;metabuthamine;2-(Isobutylamino)ethanol m-aminobenzoate hydrochloride;Benzoic acid, m-amino-, 2-isobutyl aminoethyl ester, hydrochloride;ETHANOL, 2-(ISOBUTYLAMINO)-, m-AMINOBENZOATE (ester), MONOHYDROCHLORIDE;Ethanol, 2-((2-methylpropyl)amino)-, 3-aminobenzoate (ester), monohydrochloride;CHEMBL2106833;DTXSID30203825;NSC41532;LS-66834;BUTETHAMINE META-ISOMER HYDROCHLORIDE [MI];Ethanol, 3-aminobenzoate (ester), monohydrochloride;Ethanol, m-aminobenzoate (ester), monohydrochloride;Q27256570;2-(2-methylpropylamino)ethyl 3-aminobenzoate;hydrochloride;2-(ISOBUTYLAMINO)ETHANOL M-AMINOBENZOATE, HYDROCHLORIDE;Benzoic acid, m-amino-, 2-isobutyl aminoethyl ester, hydrochloride (6CI)

Chemical Property of Metabutethamine hydrochloride

Chemical Property:

• Vapor Pressure: 4.3E-06mmHg at 25°C
• Melting Point: 181-184°
• Boiling Point: 383.7°Cat760mmHg
• Flash Point: 185.9°C
• PSA: 64.35000
• Density: g/cm³
• LogP: 3.44530
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 272.1291556
• Heavy Atom Count: 18
• Complexity: 232

Purity/Quality:

98% ^*data from raw suppliers

BUTETHAMINE META-ISOMER HYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CNCCOC(=O)C1=CC(=CC=C1)N.Cl