Basic information
- CAS
36265-54-0- Standard SMILES
COc1ccc(CC(N)c2ccc(OC)cc2)cc1- InChIKey
HKSKSPMTGBSDOR-UHFFFAOYSA-N- Molecular formula
- C16H19NO2
- Average molar mass
- 257.33 g/mol
- Monoisotopic mass
- 257.14157885
Names & identifiers
- Preferred name
- 1,2-Bis(4-methoxyphenyl)ethanamine
- IUPAC
- 1,2-bis(4-methoxyphenyl)ethanamine
- English name
- 1,2-Bis-(4-methoxy-phenyl)-ethylamine
- Molecular formula
- C16H19NO2
- Molecular weight
- 257.33
Names & synonyms
1,2-bis(4-methoxyphenyl)ethanamine36265-54-01,2-bis(4-methoxyphenyl)ethan-1-amineNSC26669MFCD066556331,2-bis(4-methoxyphenyl)ethylamineNSC-26669SCHEMBL9564556CHEMBL1973726LBA26554MCA40245SBB085351
Show more names
1,2-Bis-(4-methoxy-phenyl)-ethylamineBenzeneethanamine, 4-methoxy-α-(4-methoxyphenyl)-
AKOS000302170AKOS016885910SB81401NCI60_002147CS-0233084ST50342116EN300-13067G48211
Database identifiers
- CAS
36265-54-0- PubChem CID
- 112487
- ChEMBL
CHEMBL1973726- Nikkaji
- J456.339E
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- Melting point
- 104 · 104-105 °C
- Boiling point
- 383.9 · 383.9±37.0 °C(Predicted)
- Density
- 1.093 · 1.093±0.06 g/cm3(Predicted)
- pka
- 9.2 · 9.20±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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