Basic information
- CAS
752-60-3- Standard SMILES
CC(C)(C)c1cc(CN(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O- InChIKey
BOQNWBDBDUWBMT-UHFFFAOYSA-N- Molecular formula
- C45H69NO3
- Average molar mass
- 672 g/mol
- Monoisotopic mass
- 671.52774507
Names & identifiers
- Preferred name
- 4,4',4''-[Nitrilotris(methylene)]tris[2,6-bis(1,1-dimethylethyl)phenol]
- IUPAC
- 4-[[bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]methyl]-2,6-ditert-butylphenol
Names & synonyms
752-60-34,4',4''-(Nitrilotris(methylene))tris(2,6-bis(1,1-dimethylethyl)phenol)EINECS 212-035-0DTXSID502261774,4',4''-[nitrilotris(methylene)]tris[2,6-bis(1,1-dimethylethyl)phenol]RefChem:96160DTXCID50148668212-035-04-[[bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]methyl]-2,6-ditert-butylphenol4,4',4''-(Nitrilotris(methylene))tris(2,6-di-tert-butylphenol)4,4',4''-[Nitrilotris(methylene)]tris(2,6-di-tert-butylphenol)SCHEMBL39169
Show more names
BOQNWBDBDUWBMT-UHFFFAOYSA-Ntris(3,5-di-t-butyl-4-hydroxybenzyl)amineNS00037694Q65653498
Database identifiers
- CAS
752-60-3- PubChem CID
- 69784
- DTXSID
DTXSID50226177- EC Number
- 212-035-0
- Nikkaji
- J193.113J
Properties
Computed structural properties
- XLogP
- 13.7
- Topological polar surface area
- 63.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 835
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…