CAS 20265-38-7 3-Amino-2-methoxypyridine (HCID 2737488)

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Basic information

CAS: 20265-38-7
Standard SMILES: COc1ncccc1N
InChIKey: YXFAOWYMDGUFIQ-UHFFFAOYSA-N
Molecular formula: C6H8N2O
Average molar mass: 124.14 g/mol
Monoisotopic mass: 124.06366288

Overview

2-Methoxypyridin-3-amine is an aminopyridine.

Names & identifiers

Preferred name: 3-Amino-2-methoxypyridine
IUPAC: 2-methoxypyridin-3-amine
English name: 2-Methoxypyridin-3-amine
Molecular formula: C6H8N2O
Molecular weight: 124.14

Names & synonyms

3-amino-2-methoxypyridine2-METHOXY-3-PYRIDINAMINERefChem:497044673-107-92-methoxypyridin-3-amine20265-38-72-methoxy-3-aminopyridine2-methoxy-pyridin-3-ylamineMFCD008333862-methoxy-3-amino-pyridineSCHEMBL2351462-METHOXYPYRIDINE-3-AMINE

Show more names

BUTTPARK 37\08-36TIMTEC-BB SBB0054832-Methoxypyridin-3-amin3-PYRIDINAMINE,2-METHOXY2-Methoxy-3-aminepyridine

2-Methoxy-3-pyridinamine, AldrichCPRCS-W008209SDCCGMLS-0066259.P001SY0095893-pyridinamine, 2-methoxy-BCP222272-methoxy-3-pyridylamineA4411

Database identifiers

CAS: 20265-38-7
PubChem CID: 2737488
DTXSID: DTXSID60372093
ChEMBL: CHEMBL3277157
ChEBI: CHEBI:194864
EC Number: 673-107-9

Properties

Computed structural properties

XLogP: 0.5
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: 87.1

Physicochemical properties

Melting point: 67 °C · 67 °C
Boiling point: 118 °C/13mmHg · 118°C/13mmHg(lit.)
Density: 1.139 · 1.139±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: soluble in Methanol
form: powder to crystal
pka: 4.33 · 4.33±0.10(Predicted)
color: Orange to Brown to Dark red
InChI: InChI=1S/C6H8N2O/c1-9-6-5(7)3-2-4-8-6/h2-4H,7H2,1H3
InChIKey: YXFAOWYMDGUFIQ-UHFFFAOYSA-N
SMILES: C1(OC)=NC=CC=C1N
CAS DataBase Reference: 20265 · 20265-38-7(CAS DataBase Reference)
UNSPSC Code: 12352116 · 12352116
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (94.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+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 18 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 CategoriesAcute Tox. 4 (94.4%)

Safety data

wgk: WGK 3
hs_code: 29339900
risk_code: 20/21/22-36/37/38-41-37/38-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 26-36/37/39-39
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Applications · 1 item

Uses2-Methoxy-3-aminopyridine can be used as an intermediate in pharmaceutical chemistry and organic synthesis. In synthetic transformations, the amino group on the pyridine ring can be diazotized and then further derivatized, for example, by in-situ reduction to hydrazine compounds. Furthermore, under appropriate halogenation conditions, a halogen atom can be introduced at the fourth position of pyridine.