5-Cyclopropyl-1,3,4-oxadiazol-2-amine

HCID 16767787CAS 89179-60-2

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Grundinformationen

Standard-SMILES: Nc1nnc(C2CC2)o1
InChIKey: BXHGGEZILMHEAM-UHFFFAOYSA-N
Summenformel: C5H7N3O
Durchschnittliche Molmasse: 125,13 g/mol
Monoisotopische Masse: 125,05891186

Namen und Bezeichner

Bevorzugter Name: 5-Cyclopropyl-1,3,4-oxadiazol-2-amine
IUPAC: 5-cyclopropyl-1,3,4-oxadiazol-2-amine
Englischer Name: 5-Cyclopropyl-1,3,4-oxadiazol-2-amine
Summenformel: C5H7N3O
Molmasse: 125.13

Namen und Synonyme

5-cyclopropyl-1,3,4-oxadiazol-2-amine89179-60-2DTXSID00588015RefChem:302747DTXCID20538779857-651-6MFCD090411792-Amino-5-cyclopropyl-1,3,4-oxadiazol5-Cyclopropyl-[1,3,4]oxadiazol-2-ylamineSCHEMBL1924555AKOS000123461CS-W011175

Weitere Namen anzeigen

(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amine2-Amino-5-cyclopropyl-1,3,4-oxadiazol - [A12275]5-cyclopropyl-1,3,4-oxadiazol-2-amine(SALTDATA: FREE)

PB343571,3,4-OXADIAZOL-2-AMINE, 5-CYCLOPROPYL-F2182-01202243AF2-Amino-5-cyclopropyl-1SMSSF-0018141ALBB-0106972-Amino-5-cyclopropyl-1,3,4-oxadiazole

Datenbank-Bezeichner

CAS: 89179-60-2
PubChem CID: 16767787
DTXSID: DTXSID00588015
EC Number: 107-052-4、857-651-6

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,7
Polarare Oberfläche (TPSA): 64,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 115

Physikochemische Eigenschaften

Siedepunkt: 282 ℃ · 282℃
Dichte: 1.406 · 1.406
Flammpunkt: 124 ℃ · 124℃
storage temp.: 2 · 2-8°C, protect from light
pka: -0.58 · -0.58±0.13(Predicted)
Aggregatzustand: solid
InChI: 1S/C5H7N3O/c6-5-8-7-4(9-5)3-1-2-3/h3H,1-2H2,(H2,6,8)
InChIKey: BXHGGEZILMHEAM-UHFFFAOYSA-N
SMILES: NC1=NN=C(C2CC2)O1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

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]

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 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and Categories · 2 Einträge

Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Acute Tox. 3 (100%)

Sicherheitsdaten

ridadr: UN 2811 6.1 / PGIII
hs_code: 2934999090
risk_code: 25
hazard_code: T
safety_code: 45
hazard_class: IRRITANT
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 Oral