N-Boc-2-aminomethyl-butane-1,4-diol
Basic information
- CAS
889942-37-4- Standard SMILES
CC(C)(C)OC(=O)NCC(CO)CCO- InChIKey
KOCCEKCOHNJSHL-UHFFFAOYSA-N- Molecular formula
- C10H21NO4
- Average molar mass
- 219.28 g/mol
- Monoisotopic mass
- 219.14705815
Names & identifiers
- Preferred name
- N-Boc-2-aminomethyl-butane-1,4-diol
- IUPAC
- tert-butyl N-[4-hydroxy-2-(hydroxymethyl)butyl]carbamate
- English name
- N-Boc-2-aminomethyl-butane-1,4-diol
- Molecular formula
- C10H21NO4
- Molecular weight
- 219.28
Names & synonyms
889942-37-4N-Boc-2-aminomethyl-butane-1,4-dioltert-Butyl (4-hydroxy-2-(hydroxymethyl)butyl)carbamatetert-Butyl [4-hydroxy-2-(hydroxymethyl)butyl]carbamateDTXSID40661371DB-371415Carbamic acid, [4-hydroxy-2-(hydroxymethyl)butyl]-, 1,1-dimethylethyl ester (9CI)
Database identifiers
- CAS
889942-37-4- PubChem CID
- 44890873
- DTXSID
DTXSID40661371
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Boiling point
- 380.6 · 380.6±32.0 °C(Predicted)
- Density
- 1.089 · 1.089±0.06 g/cm3(Predicted)
- pka
- 12.49 · 12.49±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…