3-Amino-4-methoxypyridine

HCID 5200343CAS 33631-09-3

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Basic information

Standard SMILES: COc1ccncc1N
InChIKey: STWMPIWLSQKHSJ-UHFFFAOYSA-N
Molecular formula: C6H8N2O
Average molar mass: 124.14 g/mol
Monoisotopic mass: 124.06366288

Names & identifiers

Preferred name: 3-Amino-4-methoxypyridine
IUPAC: 4-methoxypyridin-3-amine
English name: 3-AMINO-4-METHOXYPYRIDINE
Molecular formula: C6H8N2O
Molecular weight: 124.14

Names & synonyms

3-AMINO-4-METHOXYPYRIDINE33631-09-3DTXSID30409446RefChem:276488DTXCID60360298640-774-24-methoxypyridin-3-amineMFCD073749594-METHOXY-3-PYRIDINAMINE3-amino-4methoxypryidine(4-Methoxypyridin-3-yl)amineEN300-61074

Show more names

CBI-BB ZERO/0048463-Amino-4-methoxypyridine ,98%3-AMINO-4-METHOXYPYRIDINE ISO 9001：2015 REACH

Z3593735283-PYRIDINAMINE, 4-METHOXY-4-Methoxy-pyridin-3-ylamine3-Amino4 methoxypyridine4-methoxy-3-pyridylamine3-Amino-4-methoxypyridinFT-06499853- Amino-4 methoxypyridine

Database identifiers

CAS: 33631-09-3
PubChem CID: 5200343
DTXSID: DTXSID30409446
EC Number: 640-774-2

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 48.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 87

Physicochemical properties

Melting point: 83 °C · 83 °C
Boiling point: 270.4 · 270.4±20.0 °C(Predicted)
Density: 1.139 · 1.139±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
form: solid
pka: 7.48 · 7.48±0.18(Predicted)
color: Brown
InChI: InChI=1S/C6H8N2O/c1-9-6-2-3-8-4-5(6)7/h2-4H,7H2,1H3
InChIKey: STWMPIWLSQKHSJ-UHFFFAOYSA-N
SMILES: C1=NC=CC(OC)=C1N
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319
Precautionary statements: 271 · P271-P261-P280
Hazard Codes: Xn
Risk Statements: 22 · 22-20/21/22
Safety Statements: 36 · 36/37
HS Code: 29339900 · 29339900

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 2 reports by companies from 2 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.