Basic information
- CAS
1353943-73-3- Standard SMILES
CC(C)N(CC1CCCCN1C(=O)OC(C)(C)C)C(=O)CCl- InChIKey
YEDTYRBRFZVUIQ-UHFFFAOYSA-N- Molecular formula
- C16H29ClN2O3
- Average molar mass
- 332.9 g/mol
Names & identifiers
- Preferred name
- 2-{[(2-Chloro-acetyl)-isopropyl-amino]-methyl}-piperidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 2-[[(2-chloroacetyl)-propan-2-ylamino]methyl]piperidine-1-carboxylate
- English name
- 2-{[(2-Chloro-acetyl)-isopropyl-aMino]-Methyl}-piperidine-1-carboxylic acid tert-butyl ester
- Molecular formula
- C16H29ClN2O3
- Molecular weight
- 332.87
Names & synonyms
1353943-73-32-{[(2-Chloro-acetyl)-isopropyl-amino]-methyl}-piperidine-1-carboxylic acid tert-butyl estertert-Butyl 2-((2-chloro-N-isopropylacetamido)methyl)piperidine-1-carboxylatetert-Butyl2-((2-chloro-N-isopropylacetamido)methyl)piperidine-1-carboxylateDB-251254tert-butyl 2-[[(2-chloroacetyl)-isopropyl-amino]methyl]piperidine-1-carboxylatetert-butyl 2-[[(2-chloroacetyl)-propan-2-ylamino]methyl]piperidine-1-carboxylate1-Piperidinecarboxylic acid, 2-[[(2-chloroacetyl)(1-methylethyl)amino]methyl]-, 1,1-dimethylethyl ester
Database identifiers
- CAS
1353943-73-3
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 393
Physicochemical properties
- Boiling point
- 424.8 · 424.8±20.0 °C(Predicted)
- Density
- 1.093 · 1.093±0.06 g/cm3(Predicted)
- pka
- -1.05 · -1.05±0.70(Predicted)
Chemistry & industry
Suppliers1 total
江阴安博生物医药有限公司086-010-62176588 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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