Methyl 3-amino-2,2-dibenzylpropanoate
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Basic information
- CAS
125469-89-8- Standard SMILES
COC(=O)C(CN)(Cc1ccccc1)Cc1ccccc1- InChIKey
IJMGEQFKUATDAT-UHFFFAOYSA-N- Molecular formula
- C18H21NO2
- Average molar mass
- 283.4 g/mol
- Monoisotopic mass
- 283.15722891
Names & identifiers
- Preferred name
- Methyl 3-amino-2,2-dibenzylpropanoate
- IUPAC
- methyl 2-(aminomethyl)-2-benzyl-3-phenylpropanoate
- English name
- Methyl 3-Amino-2,2-dibenzylpropanoate
- Molecular formula
- C18H21NO2
- Molecular weight
- 283.36
Names & synonyms
Methyl 3-amino-2,2-dibenzylpropanoate125469-89-8MFCD19442796methyl 2-(aminomethyl)-2-benzyl-3-phenylpropanoateBenzenepropanoic acid, alpha-(aminomethyl)-alpha-(phenylmethyl)-, methyl esterMethyl3-Amino-2,2-dibenzylpropanoateMethyl 3-Amino-22-dibenzylpropanoateAKOS015902717AS-32510SY015414DB-024327CS-0443672
Show more names
Benzenepropanoic acid, α-(aminomethyl)-α-(phenylmethyl)-, methyl ester
F447003methyl 2-(aminomethyl)-2-benzyl-3-phenyl-propanoateBenzenepropanoic acid, |A-(aminomethyl)-|A-(phenylmethyl)-, methyl ester
Database identifiers
- CAS
125469-89-8- PubChem CID
- 53393789
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- Boiling point
- 423.6 · 423.6±45.0 °C(Predicted)
- Density
- 1.106 · 1.106±0.06 g/cm3(Predicted)
- pka
- 8.32 · 8.32±0.15(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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 statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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