2-Amino-4,5-dimethoxybenzamide - CAS 5004-88-6

Name: 2-Amino-4,5-dimethoxybenzamide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB026905
Product Name:	2-Amino-4,5-dimethoxybenzamide
CAS:	5004-88-6
Synonyms:	2-amino-4,5-dimethoxybenzamide; 2-amino-4,5-dimethoxybenzamide

Technical Data

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Computed Properties

IUPAC Name:	2-amino-4,5-dimethoxybenzamide
Description:	2-Amino-4,5-dimethoxybenzamide (CAS# 5004-88-6) is a useful research chemical.
Molecular Weight:	196.20
Molecular Formula:	C9H12N2O3
Canonical SMILES:	COC1=C(C=C(C(=C1)C(=O)N)N)OC
InChI:	InChI=1S/C9H12N2O3/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4H,10H2,1-2H3,(H2,11,12)
InChI Key:	RLWBNRZPIQCPFT-UHFFFAOYSA-N
Boiling Point:	298.3 °C at 760 mmHg
Density:	1.238 g/cm³
LogP:	1.66640

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Related Functional Groups

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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
AU-2018325445-A1	Ectonucleotide pyrophosphatase-phosphodiesterase 1 (ENPP-1) inhibitors and uses thereof	20170831
CA-3074013-A1	Ectonucleotide pyrophosphatase-phosphodiesterase 1 (enpp-1) inhibitors and uses thereof	20170831
KR-20200047627-A	Ectonucleotide pyrophosphatase-phosphodiesterase 1 (ENPP-1) inhibitors and uses thereof	20170831
TW-201920104-A	Exonucleotide pyrophosphatase-phosphodiesterase 1 (ENPP-1) inhibitor and use thereof	20170831
WO-2019046778-A1	INHIBITORS OF ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE (ENPP-1) AND USES THEREOF	20170831

Complexity:	210
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.08479225
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	196.08479225
Rotatable Bond Count:	3
Topological Polar Surface Area:	87.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6