1-Boc-3-(3,4-dichlorophenyl)piperazine - CAS 185110-16-1
Catalog: |
BB014190 |
Product Name: |
1-Boc-3-(3,4-dichlorophenyl)piperazine |
CAS: |
185110-16-1 |
Synonyms: |
3-(3,4-dichlorophenyl)-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl 3-(3,4-dichlorophenyl)piperazine-1-carboxylate |
IUPAC Name: | tert-butyl 3-(3,4-dichlorophenyl)piperazine-1-carboxylate |
Description: | 1-Boc-3-(3,4-dichlorophenyl)piperazine (CAS# 185110-16-1 ) is a useful research chemical. |
Molecular Weight: | 331.24 |
Molecular Formula: | C15H20Cl2N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCNC(C1)C2=CC(=C(C=C2)Cl)Cl |
InChI: | InChI=1S/C15H20Cl2N2O2/c1-15(2,3)21-14(20)19-7-6-18-13(9-19)10-4-5-11(16)12(17)8-10/h4-5,8,13,18H,6-7,9H2,1-3H3 |
InChI Key: | ADEHFOWFGHHJGT-UHFFFAOYSA-N |
Boiling Point: | 420.6 °C at 760 mmHg |
Density: | 1.232 g/cm3 |
LogP: | 4.14150 |
Publication Number | Title | Priority Date |
EP-0823906-A1 | Piperazino derivatives as neurokinin antagonists | 19950502 |
EP-0823906-B1 | Piperazino derivatives as neurokinin antagonists | 19950502 |
US-5795894-A | Piperazino derivatives as neurokinn antagonists | 19950502 |
US-5981520-A | Piperazino derivatives as neurokinin antagonists | 19950502 |
WO-9634864-A1 | Piperazino derivatives as neurokinin antagonists | 19950502 |
Complexity: | 373 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 330.0901833 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 330.0901833 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 41.6 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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