2-Amino-3-benzyloxypyridine
Completing data — refresh the page later to see the latest
Basic information
- CAS
24016-03-3- Standard SMILES
Nc1ncccc1OCc1ccccc1- InChIKey
NMCBWICNRJLKKM-UHFFFAOYSA-N- Molecular formula
- C12H12N2O
- Average molar mass
- 200.24 g/mol
- Monoisotopic mass
- 200.094963
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 propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 48.1 Ų
- 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)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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
Chemistry & industry
Applications
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.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
78 records
Compound notes
Loading…