3-Aminomethylpyridazine - CAS 93319-65-4

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

Catalog:	BB040848
Product Name:	3-Aminomethylpyridazine
CAS:	93319-65-4
Synonyms:	3-pyridazinylmethanamine; pyridazin-3-ylmethanamine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	pyridazin-3-ylmethanamine
Description:	3-Aminomethylpyridazine (CAS# 93319-65-4) is a useful research chemical.
Molecular Weight:	109.13
Molecular Formula:	C5H7N3
Canonical SMILES:	C1=CC(=NN=C1)CN
InChI:	InChI=1S/C5H7N3/c6-4-5-2-1-3-7-8-5/h1-3H,4,6H2
InChI Key:	BCPGZEVUJXKIHK-UHFFFAOYSA-N
Boiling Point:	290.5 °C at 760 mmHg
Purity:	97.0 %
Density:	1.138 g/cm³
Solubility:	Slightly soluble
Appearance:	Solid
Storage:	Keep in dark place, Inert atmosphere, 2-8 °C
MDL:	MFCD05664656
LogP:	0.63560

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Related Functional Groups

Amines and Anilines

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P310, P321, P330, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
US-2019389854-A1	Therapeutic componds and methods of use thereof	20180620
US-11014921-B2	Therapeutic compounds and methods of use thereof	20180620
AU-2018325451-A1	Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor	20170831
CA-3073915-A1	Compounds and methods for modulating adenosine a2b receptor and adenosine a2a receptor	20170831
KR-20200061346-A	Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor	20170831

Complexity:	64.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	109.063997236
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	109.063997236
Rotatable Bond Count:	1
Topological Polar Surface Area:	51.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.9