(5-Methyl-2-oxazolyl)methanamine - CAS 1017228-56-6

Catalog:	BB000622
Product Name:	(5-Methyl-2-oxazolyl)methanamine
CAS:	1017228-56-6
Synonyms:	(5-methyl-2-oxazolyl)methanamine; (5-methyl-1,3-oxazol-2-yl)methanamine

Technical Data

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Computed Properties

IUPAC Name:	(5-methyl-1,3-oxazol-2-yl)methanamine
Description:	(5-Methyl-2-oxazolyl)methanamine (CAS# 1017228-56-6) is a useful research chemical.
Molecular Weight:	112.13
Molecular Formula:	C5H8N2O
Canonical SMILES:	CC1=CN=C(O1)CN
InChI:	InChI=1S/C5H8N2O/c1-4-3-7-5(2-6)8-4/h3H,2,6H2,1H3
InChI Key:	FKQACWXKOPSSDV-UHFFFAOYSA-N
Storage:	Inert atmosphere, Store in freezer, under -20 °C
LogP:	1.14200

Publication Number	Title	Priority Date
WO-2020223255-A1	3-amino-4h-benzo[e][1,2,4]thiadiazine 1,1-dioxide derivatives as inhibitors of mrgx2	20190429
TW-202106669-A	3-amino-4h-benzo[e][1,2,4]thiadiazine 1,1-dioxide derivatives as inhibitors of mrgx2	20190429
AU-2017380070-A1	Compounds useful for treating a Mannheimia haemolytica or Histophilus somni infection	20161223
AU-2017383069-A1	Compounds for the treatment of Bovine or Swine Respiratory disease	20161223
BR-112019012861-A2	compounds for the treatment of bovine or porcine respiratory disease	20161223

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P310, P305+P351+P338, P310, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	76.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	112.063662883
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	112.063662883
Rotatable Bond Count:	1
Topological Polar Surface Area:	52 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4