Tert-butyl 4-(4-chloro-3-methoxyphenyl)piperazine-1-carboxylate
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Basic information
- CAS
1010073-85-4- Standard SMILES
COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1Cl- InChIKey
BCALDKXBXSNSBC-UHFFFAOYSA-N- Molecular formula
- C16H23ClN2O3
- Average molar mass
- 326.82 g/mol
- Monoisotopic mass
- 326.1397203
Names & identifiers
- Preferred name
- Tert-butyl 4-(4-chloro-3-methoxyphenyl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-(4-chloro-3-methoxyphenyl)piperazine-1-carboxylate
- English name
- tert-butyl 4-(4-chloro-3-methoxyphenyl)piperazine-1-carboxylate
- Molecular formula
- C16H23ClN2O3
- Molecular weight
- 326.82
Names & synonyms
tert-butyl 4-(4-chloro-3-methoxyphenyl)piperazine-1-carboxylate1010073-85-4MFCD22376271SCHEMBL1639007BCALDKXBXSNSBC-UHFFFAOYSA-NKQB07385AKOS037646948AS-71641CS-0047416W15723tert-butyl4-(4-chloro-3-methoxyphenyl)piperazine-1-carboxylatetert-butyl 4-(4-chloro-3-methoxy-phenyl)piperazine-1-carboxylate
Show more names
1,1-Dimethylethyl 4-(4-chloro-3-methoxyphenyl)-1-piperazinecarboxylatetert-butyl 4-(4-chloro-3-methoxyphenyl)piperazine-1-carboxylate(WXC07132)1-Piperazinecarboxylic acid, 4-(4-chloro-3-methoxyphenyl)-, 1,1-dimethylethyl ester
4-(4-Chloro-3-methoxy-phenyl)-piperazine-1-carboxylic acid tert-butyl ester
Database identifiers
- CAS
1010073-85-4- PubChem CID
- 58778031
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 378
Physicochemical properties
- Boiling point
- 452.3 · 452.3±45.0 °C(Predicted)
- Density
- 1.184 · 1.184±0.06 g/cm3(Predicted)
- pka
- 2.41 · 2.41±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
17 records
Compound notes
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