Tert-butyl (2S)-2,6-diaminohexanoate
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Basic information
- CAS
82004-77-1- Standard SMILES
CC(C)(C)OC(=O)[C@@H](N)CCCCN- InChIKey
UCORYUPEVCQOAL-QMMMGPOBSA-N- Molecular formula
- C10H22N2O2
- Average molar mass
- 202.29 g/mol
Names & identifiers
- Preferred name
- Tert-butyl (2S)-2,6-diaminohexanoate
- IUPAC
- tert-butyl (2S)-2,6-diaminohexanoate
- English name
- (S)-tert-butyl 2,6-diaminohexanoate dihydrochloride
- Molecular formula
- C10H22N2O2
- Molecular weight
- 202.29
Names & synonyms
tert-Butyl L-lysinateTert-butyl (2S)-2,6-diaminohexanoate82004-77-1L-Lysine tert-butyl esterlysine t-butylesterSCHEMBL866977MFCD26793643SY460338EN300-7355675L-Lysine, 1,1-dimethylethyl ester(S)-tert-butyl 2,6-diaminohexanoate dihydrochloride
Database identifiers
- CAS
82004-77-1- Nikkaji
- J438.472E
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 78.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Boiling point
- 285.2 · 285.2±25.0 °C(Predicted)
- Density
- 0.987 · 0.987±0.06 g/cm3(Predicted)
- pka
- 10.46 · 10.46±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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