N-Methoxy-N-methylbenzamide - CAS 6919-61-5

Name: N-Methoxy-N-methylbenzamide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	N-methoxy-N-methylbenzamide
Description:	N-Methoxy-N-methylbenzamide (CAS# 6919-61-5) is used to prepare orally bioavailable tetrasubstituted imidazoles as inhibitors of p38 mitogen-activated protein kinase. It is used to synthesize benzofuran and benzothiophene biphenyls as inhibitors of protein tyrosine phosphatase 1B with antihyperglycemic properties.
Molecular Weight:	165.19
Molecular Formula:	C9H11NO2
Canonical SMILES:	CN(C(=O)C1=CC=CC=C1)OC
InChI:	InChI=1S/C9H11NO2/c1-10(12-2)9(11)8-6-4-3-5-7-8/h3-7H,1-2H3
InChI Key:	UKERDACREYXSIV-UHFFFAOYSA-N
Boiling Point:	70 °C0.1 mmHg (lit.)
Purity:	98 %
Density:	1.085 g/mL at 25 °C (lit.)
MDL:	MFCD00075320
LogP:	1.32000

GHS Hazard Statement:	H302 (50%): 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
WO-2021099803-A1	Compounds for use in the treatment of acute intermittent porphyria	20191121
KR-20210010407-A	Compound and organic light emitting device comprising the same	20190719
KR-20200031360-A	Manufacturing method of organic compound	20180914
WO-2019191189-A1	Compounds as modulators of tlr2 signaling	20180327
AU-2019242734-A1	Compounds as modulators of TLR2 signaling	20180327

Complexity:	153
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.078978594
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	165.078978594
Rotatable Bond Count:	2
Topological Polar Surface Area:	29.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7