CAS 117771-39-8 (E)-N'-Hydroxyacetimidamide (HCID 5487681)

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Basic information

CAS: 117771-39-8
Standard SMILES: C/C(N)=N/O
InChIKey: AEXITZJSLGALNH-UHFFFAOYSA-N
Molecular formula: C2H6N2O
Average molar mass: 74.08 g/mol
Monoisotopic mass: 74.04801281

Names & identifiers

Preferred name: (E)-N'-Hydroxyacetimidamide
IUPAC: N'-hydroxyethanimidamide
English name: N-Hydroxyacetamidine
Molecular formula: C2H6N2O
Molecular weight: 74.08

Names & synonyms

117771-39-8(E)-N'-hydroxyacetimidamide1429624-21-4(Z)-N'-hydroxyethanimidamideACETAMIDE OXIMERefChem:406385846-296-2986-923-8N'-HydroxyacetimidamideN-Hydroxyacetamidine22059-22-9(Z)-N'-hydroxyacetimidamide

Show more names

(Z)-Acetamide oximeEthanimidamide, N'-hydroxy-, (Z)-(1Z)-1-aminoethylidene]hydroxylamineEthanimidamide, N'-hydroxy-, (1Z)- (9CI)

N'-hydroxyethanimidamideAcetamidoximeACETAMIDE, OXIMEMethylamidoxime(1Z)-N'-hydroxyethanimidamideOximinoacetamideMFCD00603514Ethanimidamide, N-hydroxy-

Database identifiers

CAS: 117771-39-8、1429624-21-4、22059-22-9
PubChem CID: 5487681
DTXSID: DTXSID70176544
EC Number: 606-918-3、846-296-2、986-923-8
Nikkaji: J55.330A

Properties

Computed structural properties

XLogP: -0.6
Topological polar surface area: 58.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 5
Formal charge: 0
Complexity: 49.6

Physicochemical properties

Boiling point: 110.6 · 110.6±23.0 °C(Predicted)
Density: 1.19 · 1.19±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 7.48 · 7.48±0.69(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H302 (93.2%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

Aggregated GHS information provided per 44 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]