Basic information
- CAS
1261233-30-0- Standard SMILES
CN(c1ccnc(Cl)n1)C1CCCN(C(=O)OC(C)(C)C)C1- InChIKey
GQMIPFLYXXVUBC-UHFFFAOYSA-N- Molecular formula
- C15H23ClN4O2
- Average molar mass
- 326.82 g/mol
- Monoisotopic mass
- 326.1509537
Names & identifiers
- Preferred name
- tert-Butyl 3-((2-chloropyrimidin-4-yl)(methyl)amino)piperidine-1-carboxylate
- IUPAC
- tert-butyl 3-[(2-chloropyrimidin-4-yl)-methylamino]piperidine-1-carboxylate
- English name
- 3-[(2-Chloro-pyrimidin-4-yl)-methyl-amino]-piperidine-1-carboxylic acid tert-butyl ester
- Molecular formula
- C15H23ClN4O2
- Molecular weight
- 326.82172
Names & synonyms
1261233-30-0tert-Butyl 3-((2-chloropyrimidin-4-yl)(methyl)amino)piperidine-1-carboxylate3-[(2-Chloro-pyrimidin-4-yl)-methyl-amino]-piperidine-1-carboxylic acid tert-butyl estertert-butyl 3-[(2-chloropyrimidin-4-yl)-methylamino]piperidine-1-carboxylateTERT-BUTYL 3-[(2-CHLOROPYRIMIDIN-4-YL)(METHYL)AMINO]PIPERIDINE-1-CARBOXYLATEDTXSID601118242SBB075140AKOS015939814DB-252173F1926-0480tert-butyl 3-[(2-chloropyrimidin-4-yl)methylamino]piperidinecarboxylatetert-Butyl3-((2-chloropyrimidin-4-yl)(methyl)amino)piperidine-1-carboxylate
Show more names
tert-butyl 3-[(2-chloropyrimidin-4-yl)-methyl-amino]piperidine-1-carboxylate1-Piperidinecarboxylic acid, 3-[(2-chloro-4-pyrimidinyl)methylamino]-, 1,1-dimethylethyl ester
Database identifiers
- CAS
1261233-30-0- PubChem CID
- 60137293
- DTXSID
DTXSID601118242
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 388
Physicochemical properties
- Boiling point
- 465.6 · 465.6±35.0 °C(Predicted)
- Density
- 1.226 · 1.226±0.06 g/cm3(Predicted)
- pka
- 3.34 · 3.34±0.10(Predicted)
Chemistry & industry
Suppliers2 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
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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