2-Amino-1,3,4-oxadiazole

HCID 239787CAS 3775-60-8

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Basic information

Standard SMILES: Nc1nnco1
InChIKey: APKZPKINPXTSNL-UHFFFAOYSA-N
Molecular formula: C2H3N3O
Average molar mass: 85.07 g/mol
Monoisotopic mass: 85.02761172

Overview

structure in first source

Names & identifiers

Preferred name: 2-Amino-1,3,4-oxadiazole
IUPAC: 1,3,4-oxadiazol-2-amine
English name: NSC45356
Molecular formula: C2H3N3O
Molecular weight: 85.06

Names & synonyms

2-amino-1,3,4-oxadiazoleRefChem:4123731,3,4-oxadiazol-2-amine3775-60-8NSC45356[1,3,4]oxadiazol-2-ylamineMFCD17677516F2145-08131,3,4-oxadiazol-2-ylamineSCHEMBL508373SCHEMBL943970SCHEMBL2012247

Show more names

1,3,4-oxadiazole-2-amine1,3,4-Oxadiazol-2-amine - [X94278]

SCHEMBL2316997SCHEMBL18167283SCHEMBL28558291DTXSID70286394APKZPKINPXTSNL-UHFFFAOYSA-NSMSSF-0613657ALBB-028841NSC-45356

Database identifiers

CAS: 3775-60-8
PubChem CID: 239787
DTXSID: DTXSID70286394
EC Number: 801-025-7
Nikkaji: J1.582.520K

Properties

Computed structural properties

XLogP: -1.4
Topological polar surface area: 64.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 6
Formal charge: 0
Complexity: 48.1

Experimental & physicochemical properties

LogP-1.44

Physicochemical properties

Melting point: 156 °C · 156 °C
Boiling point: 205.6 · 205.6±23.0 °C(Predicted)
Density: 1.395 · 1.395±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: -0.75 · -0.75±0.10(Predicted)
Appearance: White to yellow Solid
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P280-P301+P330+P331
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (66.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.