4'-(Aminomethyl)-biphenyl-4-carboxylic acid tert-butyl ester
Basic information
- CAS
528894-33-9- Standard SMILES
CC(C)(C)OC(=O)c1ccc(-c2ccc(CN)cc2)cc1- InChIKey
SBAOFNIOCYNIKA-UHFFFAOYSA-N- Molecular formula
- C18H21NO2
- Average molar mass
- 283.4 g/mol
Names & identifiers
- Preferred name
- 4'-(Aminomethyl)-biphenyl-4-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[4-(aminomethyl)phenyl]benzoate
- English name
- 4'-(Aminomethyl)-biphenyl-4-carboxylic acid tert-butyl ester
- Molecular formula
- C18H21NO2
- Molecular weight
- 283.369
Names & synonyms
528894-33-94'-(AMINOMETHYL)-BIPHENYL-4-CARBOXYLIC ACID TERT-BUTYL ESTERtert-Butyl 4'-(aminomethyl)-[1,1'-biphenyl]-4-carboxylateSCHEMBL1852998SBAOFNIOCYNIKA-UHFFFAOYSA-NCS-0434853tert-butyl 4-[4-(aminomethyl)phenyl]benzoateEN300-18763407F763387tert-butyl 4'-(aminomethyl)-1,1'-biphenyl-4-carboxylate4'-(Aminomethyl)-biphenyl-4-carboxylic acid tert-butyl ester HCl[1,1'-Biphenyl]-4-carboxylic acid, 4'-(aminomethyl)-, 1,1-dimethylethyl ester
Database identifiers
- CAS
528894-33-9
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 332
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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
- P280-P305+P351+P338
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Related reactions
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Compound notes
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