2-methyl-1,3-benzoxazol-5-amine - CAS 72745-76-7

Catalog:	BB034678
Product Name:	2-methyl-1,3-benzoxazol-5-amine
CAS:	72745-76-7
Synonyms:	2-methyl-1,3-benzoxazol-5-amine; 2-methyl-1,3-benzoxazol-5-amine

Technical Data

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Computed Properties

IUPAC Name:	2-methyl-1,3-benzoxazol-5-amine
Description:	2-methyl-1,3-benzoxazol-5-amine (CAS# 72745-76-7) is a useful research chemical.
Molecular Weight:	148.16
Molecular Formula:	C8H8N2O
Canonical SMILES:	CC1=NC2=C(O1)C=CC(=C2)N
InChI:	InChI=1S/C8H8N2O/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,9H2,1H3
InChI Key:	FECYTFWPNCBIHC-UHFFFAOYSA-N
Boiling Point:	290.6 °C at 760 mmHg
Melting Point:	50-53 °C
Purity:	95 %
Density:	1.254 g/cm³
MDL:	MFCD00628970
LogP:	2.29960

Publication Number	Title	Priority Date
CN-113164476-A	Small molecule inhibitor of DYRK1/CLK and application thereof	20180928
US-2020039989-A1	Small molecule inhibitors of dyrk/clk and uses thereof	20180301
EP-3301097-A2	[1]benzothieno[3',2':4,5]imidazo[1,2-a]pyridine derivatives and related compounds for use in organic light-emitting devices (oleds)	20160930
EP-3693372-A1	Benzofuro[3',2':4,5]imidazo[1,2-a]pyridine derivatives and related compounds for use in organic light-emitting devices (oleds)	20160930
EP-3244466-A1	Organic light-emitting device	20160510

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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

Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	148.063662883
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	148.063662883
Rotatable Bond Count:	0
Topological Polar Surface Area:	52 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5