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5-Phenyl-1,3,4-oxadiazole-2-methanamine hydrochloride

5-Phenyl-1,3,4-oxadiazole-2-methanamine hydrochloride - CAS 1187931-09-4

Name: 5-Phenyl-1,3,4-oxadiazole-2-methanamine hydrochloride
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB004279
Product Name:	5-Phenyl-1,3,4-oxadiazole-2-methanamine hydrochloride
CAS:	1187931-09-4
Synonyms:	(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine;hydrochloride; (5-phenyl-1,3,4-oxadiazol-2-yl)methanamine;hydrochloride

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine;hydrochloride
Description:	5-Phenyl-1,3,4-oxadiazole-2-methanamine hydrochloride (CAS# 1187931-09-4) is a useful research chemical.
Molecular Weight:	211.65
Molecular Formula:	C9H10ClN3O
Canonical SMILES:	C1=CC=C(C=C1)C2=NN=C(O2)CN.Cl
InChI:	InChI=1S/C9H9N3O.ClH/c10-6-8-11-12-9(13-8)7-4-2-1-3-5-7;/h1-5H,6,10H2;1H
InChI Key:	MFFARWJMWVFLIW-UHFFFAOYSA-N
Appearance:	White to grey powder
MDL:	MFCD09028173
LogP:	2.69760

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Related Functional Groups

Oxadiazole/Thiadiazole

[1170931-46-0]C11H13N5O5
Ethyl 3-((3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazole-5-carboxylate
[1170977-40-8]C14H15F3N4O3
Ethyl 3-(2-(3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl)ethyl)-1,2,4-oxadiazole-5-carboxylate
[96898-36-1]C11H9N3O5
Ethyl 3-(4-nitrophenyl)-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
[55983-96-5]C10H11N3O
Methyl-(3-phenyl-[1,2,4]oxadiazol-5-ylmethyl)-amine

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	159
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	211.0512396
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	211.0512396
Rotatable Bond Count:	2
Topological Polar Surface Area:	64.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0