CAS 186593-25-9 5-(Benzyloxy)pyridin-3-amine (HCID 22989735)

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Basic information

CAS: 186593-25-9
Standard SMILES: Nc1cncc(OCc2ccccc2)c1
InChIKey: RNHYKJJZOLICIZ-UHFFFAOYSA-N
Molecular formula: C12H12N2O
Average molar mass: 200.24 g/mol
Monoisotopic mass: 200.094963

Names & identifiers

Preferred name: 5-(Benzyloxy)pyridin-3-amine
IUPAC: 5-phenylmethoxypyridin-3-amine
English name: 5-(Benzyloxy)pyridin-3-amine
Molecular formula: C12H12N2O
Molecular weight: 200.24

Names & synonyms

5-(Benzyloxy)pyridin-3-amine186593-25-93-Amino-5-(benzyloxy)pyridine5-phenylmethoxypyridin-3-amineMFCD106974903-AMINO-5-BENZYLOXYPYRIDINE5-benzyloxypyridin-3-amineSCHEMBL1532584SCHEMBL29764911DTXSID906293855-(phenylmethoxy)-3-pyridylamineRNHYKJJZOLICIZ-UHFFFAOYSA-N

Show more names

3-Pyridinamine, 5-(phenylmethoxy)-AC2009AKOS016002429AB59740CS-11131SY006296DB-065572CS-0032039

Database identifiers

CAS: 186593-25-9
PubChem CID: 22989735
DTXSID: DTXSID90629385

Properties

Computed structural properties

XLogP: 1.6
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

Physicochemical properties

Boiling point: 407.4 · 407.4±30.0 °C(Predicted)
Density: 1.18 · 1.180±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 5.77 · 5.77±0.10(Predicted)
Appearance: Off-white to gray Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338