N-tert-Butyl-N-(2,3-epoxypropyl)benzylamine
Basic information
- CAS
28026-69-9- Standard SMILES
CC(C)(C)N(Cc1ccccc1)CC1CO1- InChIKey
LJGRNWBXBMOCDO-UHFFFAOYSA-N- Molecular formula
- C14H21NO
- Average molar mass
- 219.32 g/mol
- Monoisotopic mass
- 219.16231429
Names & identifiers
- Preferred name
- N-tert-Butyl-N-(2,3-epoxypropyl)benzylamine
- IUPAC
- N-benzyl-2-methyl-N-(oxiran-2-ylmethyl)propan-2-amine
- English name
- N-tert-butyl-N-(2,3-epoxypropyl)benzylamine
- Molecular formula
- C14H21NO
- Molecular weight
- 219.32
Names & synonyms
28026-69-9EINECS 248-787-1N-tert-Butyl-N-(2,3-epoxypropyl)benzylamineSCHEMBL22204401DTXSID40950717LJGRNWBXBMOCDO-UHFFFAOYSA-NNS00049878N-Benzyl-2-methyl-N-[(oxiran-2-yl)methyl]propan-2-amineN-(1,1-Dimethylethyl)-N-(phenylmethyl)oxiranemethanamine2-Oxiranemethanamine, N-(1,1-dimethylethyl)-N-(phenylmethyl)-
Database identifiers
- CAS
28026-69-9- PubChem CID
- 119796
- DTXSID
DTXSID40950717- EC Number
- 248-787-1
- Nikkaji
- J250.631I
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 15.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Boiling point
- 288.4 · 288.4±13.0 °C(Predicted)
- Density
- 1.015 · 1.015±0.06 g/cm3(Predicted)
- pka
- 8.4 · 8.40±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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