4-Amino-1,2-dihydropyridin-2-one

HCID 573530

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Basic information

CAS: 38767-72-5
Standard SMILES: Nc1cc[nH]c(=O)c1
InChIKey: SBQVQYPJWLJRQT-UHFFFAOYSA-N
Molecular formula: C5H6N2O
Average molar mass: 110.11 g/mol
Monoisotopic mass: 110.04801281

Overview

4-Amino-2(1H)-pyridinone is an aminopyridine.

Names & identifiers

Preferred name: 4-Amino-1,2-dihydropyridin-2-one
IUPAC: 4-amino-1H-pyridin-2-one
English name: 2-Pyridinol,4-amino-(7CI,9CI)
Molecular formula: C5H6N2O
Molecular weight: 110.11

Names & synonyms

4-Amino-pyridin-2-ol4-amino-1,2-dihydropyridin-2-oneRefChem:517393108-365-9691-288-24-aminopyridin-2-ol38767-72-54-Amino-2-hydroxypyridine59315-45-64-amino-1H-pyridin-2-one4-aminopyridin-2(1H)-one4-Amino-2-pyridone

Show more names

2-Pyridinol, 4-amino-

2(1H)-Pyridinone, 4-amino-3-DeazacytosineMFCD09832889MFCD026829134-Amino-2(1H)-pyridinone2-Pyridinol,4-amino-(7CI,9CI)4-Amino-2(1H)-pyridinoSCHEMBL222661

Database identifiers

CAS: 38767-72-5、59315-45-6
PubChem CID: 573530
DTXSID: DTXSID30959572
ChEBI: CHEBI:229398
EC Number: 108-365-9、691-288-2
Nikkaji: J519.715E

Properties

Computed structural properties

XLogP: -0.8
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 169

Physicochemical properties

Boiling point: 420.4 · 420.4±25.0 °C(Predicted)
Density: 1.32 · 1.320±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 3.6 · 3.60±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]