2-Amino-3-benzyloxypyridine (HCID 90334)

Names & identifiers

Preferred name: 2-Amino-3-benzyloxypyridine
IUPAC: 3-phenylmethoxypyridin-2-amine
English name: 2-Amino-3-benzyloxypyridine
Molecular formula: C12H12N2O
Molecular weight: 200.24

Names & synonyms

2-Amino-3-benzyloxypyridine24016-03-33-(BENZYLOXY)PYRIDIN-2-AMINE3-(phenylmethoxy)-2-pyridinamine3-Benzyloxy-2-pyridylamineIYW7T7718ZEINECS 245-983-9NSC-298538DTXSID50178748NSC 298538RefChem:463841DTXCID10101239

Show more names

TIMTEC-BB SBB0003942-Amino-3-benzyloxypIndacaterol Impurity 763-Benzyloxy-2-pyridylamin4-(Benzyloxy)-2-pyridinamine

245-983-93-phenylmethoxypyridin-2-amine3-benzyloxypyridin-2-amine2-Amino-3-(benzyloxy)pyridinePaliperidone Impurity 1MFCD000063163-Benzyloxy-2-aminopyridineUNII-IYW7T7718Z

Database identifiers

CAS: 24016-03-3
PubChem CID: 90334
DTXSID: DTXSID50178748
ChEMBL: CHEMBL194009
UNII: IYW7T7718Z
EC Number: 245-983-9
Nikkaji: J236.497B

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 48.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 180

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point: 92 · 92-94 °C (lit.)
Boiling point: 337.96 °C · 337.96°C (rough estimate)
Density: 1.1131 · 1.1131 (rough estimate)
refractive index: 1.666 · 1.6660 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Crystalline Powder
pka: 8.4 · 8.40±0.10(Predicted)
color: Green to brown
BRN: 392674 · 392674
InChI: InChI=1S/C12H12N2O/c13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,13,14)
InChIKey: NMCBWICNRJLKKM-UHFFFAOYSA-N
SMILES: C1(N)=NC=CC=C1OCC1=CC=CC=C1
CAS DataBase Reference: 24016 · 24016-03-3(CAS DataBase Reference)
FDA UNII: 7 T7718Z · IYW7T7718Z
NIST Chemistry Reference: 2 · 2-Pyridinamine, 3-(phenylmethoxy)-(24016-03-3)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-20/21/22
Safety Statements: 26 · 26-37/39-24/25-36/37/39-22,26-36
RIDADR: 2811 · UN2811
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 29221985 · 29221985
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
ridadr: UN2811
hs_code: 29221985
risk_code: 36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-37/39-24/25-36/37/39-22,26-36
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 3 items

Uses2-Amino-3-benzyloxypyridine is used in preparation of pyridinyl/pyridazinyloxymethyl substituted Raf kinase inhibitors.

Uses2-Amino-3-benzyloxypyridine was used in the synthesis of 1-acetyl-2-[2-(3-benzyloxypyridinyl)]iminoimidazolidine.

General Description2-Amino-3-benzyloxypyridine on condensation with diethyl ethoxymethylene malonate affords 9-benzyloxy-3-ethoxycarbonylpyrido[1,2-a]pyrimidin-4-one.