4-Methoxybenzylamine
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Basic information
- CAS
2393-23-9- Standard SMILES
COc1ccc(CN)cc1- InChIKey
IDPURXSQCKYKIJ-UHFFFAOYSA-N- Molecular formula
- C8H11NO
- Average molar mass
- 137.18 g/mol
- Monoisotopic mass
- 137.08406397
Names & identifiers
- Preferred name
- 4-Methoxybenzylamine
- IUPAC
- (4-methoxyphenyl)methanamine
- English name
- 4-Methoxybenzylamine
- Molecular formula
- C8H11NO
- Molecular weight
- 137.18
Names & synonyms
4-Methoxybenzylamine2393-23-9p-MethoxybenzylamineAnisylamineBenzenemethanamine, 4-methoxy-2M6QLM4NWENSC-9269DTXSID2062371RefChem:99632DTXCID1036967219-247-2(4-Methoxyphenyl)methanamine
Show more names
pmbnh24MBAPara Methoxy Benzyl AmineNSC 9269forSparfloxacine
1-(4-methoxyphenyl)methanamine4-Methoxy-benzylamine4-MethoxybenzenemethanamineBenzylamine, p-methoxy-MFCD00008122para-methoxybenzylamine(4-methoxyphenyl)methylaminep-methoxy benzylamine
Database identifiers
- CAS
2393-23-9- PubChem CID
- 75452
- DTXSID
DTXSID2062371- ChEMBL
CHEMBL12720- ChEBI
CHEBI:49837- UNII
- 2M6QLM4NWE
- Nikkaji
- J101.237A
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 87
Experimental & physicochemical properties
Physical DescriptionColorless liquid with an amine-like odor; [Alfa Aesar MSDS]
Kovats Retention Index1232.6
Physicochemical properties
- Melting point
- -10 °C · -10°C
- Boiling point
- 236 · 236-237 °C (lit.)
- Density
- 1.05 g/mL · 1.05 g/mL at 25 °C (lit.)
- vapor pressure
- 26.67 Pa · 26.67Pa at 50℃
- refractive index
- 20 · n20/D 1.546(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- solubility
- soluble in Chloroform, Methanol
- form
- Liquid
- pka
- 9.3 · 9.30±0.10(Predicted)
- Specific Gravity
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information4-Methoxybenzylamine: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Toxic by ingestion; [Alfa Aesar MSDS] See Benzylamine.
Toxicology
Adverse EffectsDermatotoxin - Skin burns.；Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.
Regulatory information
Regulatory Information4-Methoxybenzylamine: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2735 8/PG 2
- hs_code
- 29222900
- risk_code
- 34-37-22
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39-45-27
- hazard_class
- 8
- packing_group
- III
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenemethanamine, 4-methoxy-: ACTIVE
Applications
Uses4-Methoxybenzylamine is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuff. It is also used fine chemical intemediate.
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: 1-(4-methoxyphenyl)methanamine is an aralkylamino compound that is benzylamine substituted by a methoxy group at the para position. It is a primary amino compound, an aromatic ether and an aralkylamino compound.
Related reactions
2,279 records
Compound notes
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