CAS 24517-64-4 2-Amino-3-cyanopyridine (HCID 818259)

Overview

Used as a foundation for derivatives used in anti-cancer treatment

Names & identifiers

Preferred name: 2-Amino-3-cyanopyridine
IUPAC: 2-aminopyridine-3-carbonitrile
English name: 2-Amino-3-cyanopyridine
Molecular formula: C6H5N3
Molecular weight: 119.12

Names & synonyms

2-Amino-3-cyanopyridine24517-64-42-aminonicotinonitrile3-Pyridinecarbonitrile, 2-amino-DTXSID80355929RefChem:85120DTXCID50306988627-986-02-aminopyridine-3-carbonitrile2-Amino-3-pyridinecarbonitrile2-Amino-nicotinonitrileMFCD00128867

Show more names

3-cyanopyridin-2-amine3-Cyano-2-pyridinamine2-Amino-3-cyanopyridine >2-Amino-3-cyanopyridine ,98%2-Aminopyridin-3-carbonitrile

2-amino-3-pyridine-carbonitrile3-CYANOPYRIDINE-2-AMINEAF-399/40963073CS-W002395AB03606SY0122082-Amino-pyridine-3-carbonitrileaminonicotinonitrile

Database identifiers

CAS: 24517-64-4
PubChem CID: 818259
DTXSID: DTXSID80355929
ChEMBL: CHEMBL4585655
EC Number: 627-986-0
Nikkaji: J3.165.196D

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 62.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 134

Physicochemical properties

Melting point: 133 · 133-135°C
Boiling point: 297.6 · 297.6±25.0 °C(Predicted)
Density: 1.23 · 1.23±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
pka: 3.09 · 3.09±0.36(Predicted)
form: Crystalline Powder
color: White to brown
BRN: 115612 · 115612
InChI: 1S/C6H5N3/c7-4-5-2-1-3-9-6(5)8/h1-3H,(H2,8,9)
InChIKey: YYXDQRRDNPRJFL-UHFFFAOYSA-N
SMILES: Nc1ncccc1C#N
CAS DataBase Reference: 24517 · 24517-64-4(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H318
Precautionary statements: 280 · P280-P301+P312+P330-P305+P351+P338+P310
PPE: 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes: Xi,Xn
Risk Statements: 20 · 20/21/22-36/37/38-41-22
Safety Statements: 26 · 26-36/37/39
RIDADR: 3439 · 3439
WGK Germany: 3 · 3
Hazard Note: Harmful
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 29333990 · 29333990
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (16%): Toxic if swallowed [Danger Acute toxicity, oral]

P262, P264, P264+P265, P270, P280, P301+P316, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (16%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk: 3
ridadr: 3439
hs_code: 29333990
risk_code: 20/21/22-36/37/38-41-22
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xi,Xn
hazard_note: Harmful
safety_code: 26-36/37/39
hazard_class: 6.1
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: III
Hazard statements: H302-H318
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1
Precautionary statements: P280-P301+P312+P330-P305+P351+P338+P310

Chemistry & industry

Applications

Uses2-Amino-3-pyridinecarbonitrile is used as a reagent in the synthesis of novel imidazo[1,2-a]pyridine derivatives as potent c-Met inhibitors and antimycobacterials.