N-Hydroxynicotinimidamide
Basic information
- CAS
1594-58-7- Standard SMILES
NC(=NO)c1cccnc1- InChIKey
AQBMQGDKWIPBRF-UHFFFAOYSA-N- Molecular formula
- C6H7N3O
- Average molar mass
- 137.14 g/mol
- Monoisotopic mass
- 137.05891186
Overview
See also: 3-Pyridinecarboxamide Oxime (preferred).
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'-hydroxynicotinimidamideN'-Hydroxy-3-pyridinecarboximidamideNicotinamidoximeNicotinamide 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 Ų
- 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
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/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.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
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).
Upstream & downstream products
Upstream raw materials
Related reactions
180 records
Compound notes
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