2-Amino-4-methoxybenzaldehyde

HCID 323503CAS 59236-36-1

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Basic information

Standard SMILES: COc1ccc(C=O)c(N)c1
InChIKey: MFBXUCNGQIZZLN-UHFFFAOYSA-N
Molecular formula: C8H9NO2
Average molar mass: 151.16 g/mol
Monoisotopic mass: 151.06332853

Names & identifiers

Preferred name: 2-Amino-4-methoxybenzaldehyde
IUPAC: 2-amino-4-methoxybenzaldehyde
English name: 2-amino-4-methoxy-benzaldehyde
Molecular formula: C8H9NO2
Molecular weight: 151.16

Names & synonyms

2-amino-4-methoxybenzaldehyde59236-36-12-AMINO-4-METHOXY-BENZALDEHYDEMFCD09907934Benzaldehyde, 2-amino-4-methoxy-4-methoxy-2-aminobenzaldehydeNSC2841532-Formyl-5-methoxyanilineSCHEMBL1571550DTXSID90314481MFBXUCNGQIZZLN-UHFFFAOYSA-NAKOS006314280

Show more names

2-amino-4-methoxy-benzenemethylaldehyde2-amino-4-methoxy-benzaldehyde ISO 9001：2015 REACH

AB54699CS-4221NSC 284153NSC-284153SY018560DB-346758CS-0186540F15612

Database identifiers

CAS: 59236-36-1
PubChem CID: 323503
DTXSID: DTXSID90314481
Nikkaji: J3.694.565F

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 52.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 138

Physicochemical properties

Boiling point: 321.5 · 321.5±27.0 °C(Predicted)
Density: 1.186 · 1.186±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: -0.07 · -0.07±0.10(Predicted)
Appearance: yellow to brown 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
HS Code: 2921511990 · 2921511990