N-(2-Benzoxazolyl)guanidine - CAS 39123-82-5

Catalog:	BB023848
Product Name:	N-(2-Benzoxazolyl)guanidine
CAS:	39123-82-5
Synonyms:	2-(1,3-benzoxazol-2-yl)guanidine; 2-(1,3-benzoxazol-2-yl)guanidine

Technical Data

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Computed Properties

IUPAC Name:	2-(1,3-benzoxazol-2-yl)guanidine
Description:	N-(2-Benzoxazolyl)guanidine (CAS# 39123-82-5) is a useful research chemical.
Molecular Weight:	176.18
Molecular Formula:	C8H8N4O
Canonical SMILES:	C1=CC=C2C(=C1)N=C(O2)N=C(N)N
InChI:	InChI=1S/C8H8N4O/c9-7(10)12-8-11-5-3-1-2-4-6(5)13-8/h1-4H,(H4,9,10,11,12)
InChI Key:	FNGZREDJXWXRBW-UHFFFAOYSA-N
Boiling Point:	380.5 °C at 760 mmHg
Density:	1.54 g/cm³
LogP:	2.00620

Publication Number	Title	Priority Date
AU-2018387838-A1	Biguanide derivatives and their rearrangement products for use in the treatment of cancer	20171222
EP-3728211-A1	Biguanide derivatives and their rearrangement products for use in the treatment of cancer	20171222
US-2020308156-A1	Biguanide derivatives and their rearrangement products for use in the treatment of cancer	20171222
EP-3445322-A1	Process for treating keratin fibres with an ethylenic polymer bearing a maleic anhydride group and a polyol	20151222
FR-3045363-A1	PROCESS FOR TREATING KERATIN FIBERS WITH A MALEIC ANHYDRIDE-GROUP ETHYLENE POLYMER AND A POLYOL	20151222

PMID	Publication Date	Title	Journal
22220135	20111101	2-(1,3-Benzoxazol-2-yl)guanidinium chloride	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Nitrogen Compounds

[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[618-40-6]
1-Methyl-1-phenylhydrazine
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Complexity:	214
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.06981089
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	176.06981089
Rotatable Bond Count:	1
Topological Polar Surface Area:	90.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7