(4-Methoxy-benzyl)-(2-methoxy-1-methyl-ethyl)-amine
Basic information
- CAS
353777-78-3- Standard SMILES
COCC(C)NCc1ccc(OC)cc1- InChIKey
HTVSIOIPGZGDQI-UHFFFAOYSA-N- Molecular formula
- C12H19NO2
- Average molar mass
- 209.28 g/mol
- Monoisotopic mass
- 209.14157885
Names & identifiers
- Preferred name
- (4-Methoxy-benzyl)-(2-methoxy-1-methyl-ethyl)-amine
- IUPAC
- 1-methoxy-N-[(4-methoxyphenyl)methyl]propan-2-amine
- English name
- (4-METHOXY-BENZYL)-(2-METHOXY-1-METHYL-ETHYL)-AMINE
- Molecular formula
- C12H19NO2
- Molecular weight
- 209.28
Names & synonyms
353777-78-3(4-Methoxy-benzyl)-(2-methoxy-1-methyl-ethyl)-amine1-methoxy-N-(4-methoxybenzyl)propan-2-amine1-methoxy-N-[(4-methoxyphenyl)methyl]propan-2-amine(4-METHOXYBENZYL)(2-METHOXY-1-METHYLETHYL)AMINEMFCD00981067(2-methoxy-isopropyl)[(4-methoxyphenyl)methyl]amine[(4-methoxyphenyl)methyl](1-methoxypropan-2-yl)amineCBMicro_023401Oprea1_239481Oprea1_557735DTXSID80386031
Show more names
CHEMBRDG-BB 5541705UKRORGSYN-BB BBV-123875Benzenemethanamine, 4-methoxy-N-(2-methoxy-1-methylethyl)-(4-methoxybenzyl)(2-methoxy-1-methylethyl)amine(SALTDATA: FREE)
CCG-10689SBB027760STK145939AKOS000230736AKOS017273201SB78434BS-37536BIM-0023376.P001
Database identifiers
- CAS
353777-78-3- PubChem CID
- 2851214
- DTXSID
DTXSID80386031
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Boiling point
- 288.5 · 288.5±20.0 °C(Predicted)
- Density
- 0.99 · 0.990±0.06 g/cm3(Predicted)
- pka
- 9.31 · 9.31±0.19(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
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Related reactions
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Compound notes
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