Basic information
- CAS
683274-46-6- Standard SMILES
COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(N)c1- InChIKey
WYWLNFNCMSRHEO-UHFFFAOYSA-N- Molecular formula
- C17H25N3O4
- Average molar mass
- 335.4 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 4-[2-amino-4-(methoxycarbonyl)-phenyl]piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-(2-amino-4-methoxycarbonylphenyl)piperazine-1-carboxylate
- English name
- 4-(2-AMINO-4-METHOXYCARBONYL-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
- Molecular formula
- C17H25N3O4
- Molecular weight
- 335.4
Names & synonyms
683274-46-6tert-Butyl 4-[2-amino-4-(methoxycarbonyl)-phenyl]piperazine-1-carboxylate4-(2-AMINO-4-METHOXYCARBONYL-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTERtert-butyl 4-(2-amino-4-methoxycarbonylphenyl)piperazine-1-carboxylatetert-Butyl 4-(2-amino-4-(methoxycarbonyl)phenyl)piperazine-1-carboxylatetert-butyl 4-[2-amino-4-(methoxycarbonyl)phenyl]piperazine-1-carboxylateSCHEMBL103154SCHEMBL31615949WYWLNFNCMSRHEO-UHFFFAOYSA-NAKOS027301500DB-433303BUTTPARK 47\08-04
Show more names
1-Piperazinecarboxylic acid, 4-[2-amino-4-(methoxycarbonyl)phenyl]-, 1,1-dimethylethyl ester
Database identifiers
- CAS
683274-46-6
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 85.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 455
Physicochemical properties
- Boiling point
- 501 · 501.0±50.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 6.15 · 6.15±0.11(Predicted)
Chemistry & industry
Suppliers6 total
Fluorochem Ltd[email protected]
BUTTPARK[email protected]
FLRO-SR[email protected]
TYGER[email protected]
MATRIX[email protected]
FULCRUM—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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