4-Methoxypyridazin-3-amine - CAS 1026194-47-7

Name: 4-Methoxypyridazin-3-amine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB060296
Product Name:	4-Methoxypyridazin-3-amine
CAS:	1026194-47-7
Synonyms:	4-methoxypyridazin-3-amine; 3-amino-4-methoxypyridazine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-methoxypyridazin-3-amine
Description:	4-Methoxypyridazin-3-amine is used in the preparation of herbicidal pyridazinum based compounds.
Molecular Weight:	125.12
Molecular Formula:	C5H7N3O
Canonical SMILES:	COC1=C(N=NC=C1)N
InChI:	InChI=1S/C5H7N3O/c1-9-4-2-3-7-8-5(4)6/h2-3H,1H3,(H2,6,8)
InChI Key:	ZHMFSQJMTITBJA-UHFFFAOYSA-N
References:	Scutt, J. N., et al. From PCT Int. Appl. (2020), WO 2020161270 A1 20200813..

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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, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2020161270-A1	Herbicidal pyridazinum based compounds	20190208
AU-2015338946-A1	Potent gamma-secretase modulators	20141031
AU-2015338946-B2	Potent gamma-secretase modulators	20141031
CA-2966423-A1	Potent gamma-secretase modulators	20141031
CN-107406423-B	Potent gamma-secretase modulators	20141031
EP-3212633-A1	Potent gamma-secretase modulators	20141031
EP-3212633-B1	Potent gamma-secretase modulators	20141031
JP-2017533237-A	Powerful Î³-secretase modulator	20141031
JP-6672296-B2	Powerful gamma-secretase modulator	20141031
US-10472346-B2	Potent gamma-secretase modulators	20141031

Complexity:	88.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	125.058911855
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	125.058911855
Rotatable Bond Count:	1
Topological Polar Surface Area:	61Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.5