3,5-Dimethoxybenzamide - CAS 17213-58-0

Name: 3,5-Dimethoxybenzamide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	3,5-dimethoxybenzamide
Description:	3,5-Dimethoxybenzamide (CAS# 17213-58-0) is a useful research chemical.
Molecular Weight:	181.19
Molecular Formula:	C9H11NO3
Canonical SMILES:	COC1=CC(=CC(=C1)C(=O)N)OC
InChI:	InChI=1S/C9H11NO3/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3,(H2,10,11)
InChI Key:	YTLRWVNYANKXOW-UHFFFAOYSA-N
Boiling Point:	285.9 °C at 760 mmHg
Melting Point:	143-148 °C
Purity:	> 98.0 % (T)
Density:	1.16 g/cm³
Appearance:	White to very slightly yellow powder
Storage:	Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
MDL:	MFCD00007987
LogP:	1.50300
Refractive Index:	1.5270 (estimate)

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
CN-112961079-A	Method for dehydrating primary amide into nitriles by cobalt catalysis	20210304
WO-2019172836-A1	A protein-binding product, a device contaning said protein-binding product and a method for extracorporeal reduction of the level of protein in blood plasma	20180308
US-2020406230-A1	A protein-binding product, a device containing said protein-binding product and a method for extracorporeal reduction of the level of protein in blood plasma	20180308
EP-3762716-A1	A protein-binding product, a device contaning said protein-binding product and a method for extracorporeal reduction of the level of protein in blood plasma	20180308
EP-3710428-A1	Modulators of the integrated stress pathway	20171102

Complexity:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	181.07389321
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	181.07389321
Rotatable Bond Count:	3
Topological Polar Surface Area:	61.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5