5-Propyl-1,3,4-oxadiazol-2-amine - CAS 69741-89-5

Name: 5-Propyl-1,3,4-oxadiazol-2-amine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB033954
Product Name:	5-Propyl-1,3,4-oxadiazol-2-amine
CAS:	69741-89-5
Synonyms:	5-propyl-1,3,4-oxadiazol-2-amine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-propyl-1,3,4-oxadiazol-2-amine
Description:	5-Propyl-1,3,4-oxadiazol-2-amine (CAS# 69741-89-5) is a useful research chemical.
Molecular Weight:	127.14
Molecular Formula:	C5H9N3O
Canonical SMILES:	CCCC1=NN=C(O1)N
InChI:	InChI=1S/C5H9N3O/c1-2-3-4-7-8-5(6)9-4/h2-3H2,1H3,(H2,6,8)
InChI Key:	ONPGEOZWSJOTMY-UHFFFAOYSA-N
Boiling Point:	246.4 °C at 760 mmHg
Density:	1.152 g/cm³
MDL:	MFCD09261278
LogP:	1.18550

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Related Functional Groups

Oxadiazole/Thiadiazole

[1018125-37-5]C11H9FN2O3
Ethyl 3-(2-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate
[261626-93-1]C9H8N2O3S
Ethyl 3-(2-thienyl)-1,2,4-oxadiazole-5-carboxylate
[697245-66-2]C13H14N2O5
Ethyl 3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxylate
[163719-81-1]C11H9FN2O3
Ethyl 3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate
[956729-63-8]C9H9N5O5
Ethyl 3-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxylate
[956264-16-7]C9H9BrN4O3
Ethyl 3-[(4-bromopyrazolyl)methyl]-1,2,4-oxadiazole-5-carboxylate

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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
TW-202102477-A	Quinoline Carboxamide Derivatives and Manufacturing Methods of Manufacturing Intermediates	20190322
AU-4749200-A	Carbamic acid derivatives and their use as metabotropic glutamate receptor ligands	19990420
AU-776344-B2	Carbamic acid derivatives and their use as metabotropic glutamate receptor ligands	19990420
CA-2367368-C	Carbamic acid derivatives and their use as metabotropic glutamate receptor ligands	19990420
EP-1171423-B1	Carbamic acid derivatives and their use as metabotropic glutamate receptor ligands	19990420

Complexity:	88.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	127.074561919
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	127.074561919
Rotatable Bond Count:	2
Topological Polar Surface Area:	64.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2