Ethyl 3-Aminoisonicotinate

HCID 2736365CAS 14208-83-4

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Basic information

Standard SMILES: CCOC(=O)c1ccncc1N
InChIKey: BIFLTHWDFNLOTD-UHFFFAOYSA-N
Molecular formula: C8H10N2O2
Average molar mass: 166.18 g/mol
Monoisotopic mass: 166.07422756

Names & identifiers

Preferred name: Ethyl 3-Aminoisonicotinate
IUPAC: ethyl 3-aminopyridine-4-carboxylate
English name: 3-Amino-isonicotinic acid ethyl ester
Molecular formula: C8H10N2O2
Molecular weight: 166.18

Names & synonyms

ethyl 3-aminoisonicotinate14208-83-4DTXSID60371309RefChem:343332DTXCID30322343811-048-4Ethyl 3-amino-4-pyridinecarboxylate3-Amino-isonicotinic acid ethyl esterEthyl 3-aminopyridine-4-carboxylate4-Pyridinecarboxylic acid, 3-amino-, ethyl ester3-Aminoisonicotinic acid ethyl esterMFCD03788270

Show more names

3-amino-4-pyridinecarboxyLEthyl3-Aminoisonicotinate>3-Amino-isonicotinic acid ethylethyl 3-aMinopyridin-4-carboxylateEthyl 3-aminoisopyridin-3-carboxylate3-Amino-isonicotinic acid ethyl ester ,98%Ethyl 3-aminoisonicotinate, CAS 14208-83-4

3-Amino-4-pyridinecarboxylic acid ethyl ester3-Aminopyridine-4-carboxylic acid ethyl esterSCHEMBL1841640SCHEMBL29790003BIFLTHWDFNLOTD-UHFFFAOYSA-NEthyl3-amino-4-pyridinecarboxylate3-Amino-4-(ethoxycarbonyl)pyridineCS-D0762

Database identifiers

CAS: 14208-83-4
PubChem CID: 2736365
DTXSID: DTXSID60371309
EC Number: 811-048-4

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 65.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 161

Physicochemical properties

Melting point: 170 · 170-175
Boiling point: 304 · 304.0±22.0 °C(Predicted)
Density: 1.192 · 1.192±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: powder to crystal
pka: 4.13 · 4.13±0.18(Predicted)
color: Light orange to Yellow to Green
CAS DataBase Reference: 14208 · 14208-83-4(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39-45
Hazard Note: Irritant
HS Code: 29339900 · 29339900

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 29339900
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39-45
Hazard statements: H302
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses3-Amino-isonicotinic Acid Ethyl Ester acts as a reagent for the synthetic preparation of heteroaryl compounds as PDE-10 inhibitors useful in treatment and prevention of CNS, metabolic and other diseases. Also in the design and evaluation of 1,7-naphthyridones as novel KDM5 inhibitors.