N-Hydroxynicotinimidamide (HCID 308113)

Names & identifiers

Preferred name: N-Hydroxynicotinimidamide
IUPAC: N'-hydroxypyridine-3-carboximidamide
English name: 3-Pyridylamidoxime
Molecular formula: C6H7N3O
Molecular weight: 137.14

Names & synonyms

1594-58-7N-Hydroxynicotinimidamide3-PyridylamidoximeN-hydroxypyridine-3-carboximidamideN'-Hydroxy-3-pyridinecarboximidamideN'-hydroxynicotinimidamideNicotinamidoximeNicotinamide oxime1217433-56-1MFCD00125875N-Hydroxynicotinamidinen-hydroxy-nicotinamidine

Show more names

AKOS B030080BUTTPARK 33\04-45RARECHEM BG FB 0128Pyridine-3-amidoxime3-Pyridylamide oximePyridin-3-ylamidoxime3-Pyridylamidoxime 98%

Pyridine-3-carboxamide oxime3-pyridinamidoxime3-PyridinecarboxamidoximeN-hydroxy-nicotinimidamide(E)-N-hydroxynicotinimidamide(Z)-N-hydroxynicotinimidamideSCHEMBL283481SCHEMBL283482

Database identifiers

CAS: 1594-58-7
PubChem CID: 308113
EC Number: 625-116-4

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 71.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 135

Physicochemical properties

Melting point: 130 · 130-135 °C (lit.)
Boiling point: 278.2 · 278.2±32.0 °C(Predicted)
Density: 1.31 · 1.31±0.1 g/cm3(Predicted)
Flash point: 230 °F · >230 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: 25 mg/ml; · DMF: 25 mg/ml; DMSO: 15 mg/ml; Ethanol: 3 mg/ml; PBS (pH 7.2): 1.5 mg/ml
form: powder to crystal
pka: 13.22 · 13.22±0.50(Predicted)
color: White to Light yellow
InChI: InChI=1S/C6H7N3O/c7-6(9-10)5-2-1-3-8-4-5/h1-4,10H,(H2,7,9)
InChIKey: AQBMQGDKWIPBRF-UHFFFAOYSA-N
SMILES: C1=NC=CC=C1C(NO)=N
CAS DataBase Reference: 1594 · 1594-58-7(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi,C
Risk Statements: 36 · 36/37/38-34
Safety Statements: 26 · 26-36-37/39-36/37/39
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29333990 · 29333990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (97.8%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29333990
risk_code: 36/37/38-34
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,C
safety_code: 26-36-37/39-36/37/39
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses3-Pyridylamidoxime may be used in the synthesis of 3-(3-pyridyl)-5-trichloromethyl-1,2,4-oxadiazole.

General Description3-Pyridylamidoxime (pyridine-3-amidoxime, Py-3-AO) can be synthesized from the reaction between hydroxylamine hydrochloride, sodium hydroxide and 3-cyanopyridine (dissolved in ethanol).