Benzenemethanol, alpha-(((1,1-dimethylethyl)amino)methyl)-, (E)-2-butenedioate (salt) (2:1)
Basic information
- CAS
72156-35-5- Standard SMILES
CC(C)(C)NCC(O)c1ccccc1.CC(C)(C)NCC(O)c1ccccc1.O=C(O)/C=C/C(=O)O- InChIKey
WJLJTTRBQRFGIB-WXXKFALUSA-N- Molecular formula
- C28H42N2O6
- Average molar mass
- 502.6 g/mol
- Monoisotopic mass
- 502.30428706
Names & identifiers
- Preferred name
- Benzenemethanol, alpha-(((1,1-dimethylethyl)amino)methyl)-, (E)-2-butenedioate (salt) (2:1)
- IUPAC
- (E)-but-2-enedioic acid;bis(2-(tert-butylamino)-1-phenylethanol)
Names & synonyms
Benzenemethanol, alpha-(((1,1-dimethylethyl)amino)methyl)-, (E)-2-butenedioate (salt) (2:1)72156-35-5RefChem:1078533CRL 40610C2-t-Butylamino-1-phenylethanol fumarate (2:1)2-Tertiobutylamino-1-phenyl-1-ethanol hemifumarate [French]alpha-(((1,1-Dimethylethyl)amino)methyl)benzenemethanol (E)-2-butenedioate (salt) (2:1)2-Tertiobutylamino-1-phenyl-1-ethanol hemifumarate
Database identifiers
- CAS
72156-35-5- PubChem CID
- 6447136
Properties
Computed structural properties
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 275
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Compound notes
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