3-(Dimethylamino)-1-(1-naphthyl)-1-propanone Hydrochloride - CAS 5409-58-5
Catalog: |
BB028500 |
Product Name: |
3-(Dimethylamino)-1-(1-naphthyl)-1-propanone Hydrochloride |
CAS: |
5409-58-5 |
Synonyms: |
3-(dimethylamino)-1-(1-naphthalenyl)-1-propanone;hydrochloride; 3-(dimethylamino)-1-naphthalen-1-ylpropan-1-one;hydrochloride |
IUPAC Name: | 3-(dimethylamino)-1-naphthalen-1-ylpropan-1-one;hydrochloride |
Description: | 3-(Dimethylamino)-1-(1-naphthyl)-1-propanone Hydrochloride (CAS# 5409-58-5) is a reactant used in the preparation of choline acetyltransferase (ChA) inhibitors. |
Molecular Weight: | 263.76 |
Molecular Formula: | C15H18ClNO |
Canonical SMILES: | CN(C)CCC(=O)C1=CC=CC2=CC=CC=C21.Cl |
InChI: | InChI=1S/C15H17NO.ClH/c1-16(2)11-10-15(17)14-9-5-7-12-6-3-4-8-13(12)14;/h3-9H,10-11H2,1-2H3;1H |
InChI Key: | GUTDWEKYWTXJGD-UHFFFAOYSA-N |
Boiling Point: | 368.7 °C at 760 mmHg |
Flash Point: | 139.4°C |
Density: | 1.072 g/cm3 |
LogP: | 3.77620 |
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 |
KR-102303635-B1 | PROCESS FOR PREPARING (1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-dimethylamino-2-(1-naphthyl)-1-phenyl-butan-2-ol AND PHARMACEUTICALLY ACCEPTABLE SALT | 20200701 |
WO-2020161743-A1 | Process for the preparation of bedaquiline fumarate | 20190208 |
EP-3112334-A1 | Process for manufacturing 1-cyclopropyl-naphthalenes | 20150629 |
EP-3313805-A1 | Process for manufacturing 1-cyclopropyl-naphthalenes | 20150629 |
JP-2018521037-A | Process for producing 1-cyclopropyl-naphthalene | 20150629 |
Complexity: | 262 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 263.1076919 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 263.1076919 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 20.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS