JZL 195
- Iupac Name：(4-nitrophenyl) 4-[(3-phenoxyphenyl)methyl]piperazine-1-carboxylate
- CAS No.: 1210004-12-8
- Molecular Weight：433.464
- Modify Date.: 2022-11-25 06:45
1. Names and Identifiers
- 1.1 Name
- JZL 195
- 1.2 Synonyms
1-Piperazinecarboxylic acid, 4-[(3-phenoxyphenyl)methyl]-, 4-nitrophenyl ester 4-[(3-Phenoxyphenyl)methyl]-1-piperazinecarboxylic acid 4-nitrophenyl ester 4-nitrophenyl 4-(3-phenoxybenzyl)piperazine-1-carboxylate CS-1586 JZL 195 JZL195
- 1.3 CAS No.
- 1210004-12-8
- 1.4 CID
- 46232606
- 1.5 Molecular Formula
- C24H23N3O5 (isomer)
- 1.6 Inchi
- InChI=1S/C24H23N3O5/c28-24(32-22-11-9-20(10-12-22)27(29)30)26-15-13-25(14-16-26)18-19-5-4-8-23(17-19)31-21-6-2-1-3-7-21/h1-12,17H,13-16,18H2
- 1.7 InChkey
- QNYRAEKLMNDRFY-UHFFFAOYSA-N
- 1.8 Canonical Smiles
- C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]
- 1.9 Isomers Smiles
- C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]
2. Properties
- 2.1 Density
- 1.303±0.06 g/cm3(Predicted)
- 2.1 Boiling point
- 581.8±50.0 °C(Predicted)
- 2.1 Refractive index
- 1.632
- 2.1 Flash Point
- 305.7±30.1 °C
- 2.1 PSA
- 87.83000
- 2.1 logP
- 5.63
- 2.1 Solubility
- Insuluble (6.1E-5 g/L) (25 oC),
- 2.2 Color/Form
- white to beige
- 2.3 pKa
- 6.13±0.10(Predicted)
3. Safety and Handling
- 3.1 Hazard Codes
- N
- 3.1 Risk Statements
- 50
- 3.1 Safety Statements
- 61
- 3.1 RIDADR
- UN 3077 9 / PGIII
- 3.1 WGK Germany
- 3
4. Computational chemical data
- Molecular Weight: 433.464g/mol
- Molecular Formula: C24H23N3O5
- Compound Is Canonicalized: True
- XLogP3-AA: 4.3
- Exact Mass: 433.16377084
- Monoisotopic Mass: 433.16377084
- Complexity: 605
- Rotatable Bond Count: 6
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Topological Polar Surface Area: 87.8
- Heavy Atom Count: 32
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADceB7OAAAAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAAABUAAAHgAEAAAADAzBmAQwzoMQRACJAiRCWwCCCAAgIgAoiAAObIoMZiKEsZueOijkxhGI6AewwBAOAEABAAAAAAAAgAIAAAAAAAAAAAAAAA==
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JZL195
- Purity:99%Packing: 200kg/bag FOB
- Price:
- Time: 2015/08/31
Inquire
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JZL195
- Purity:99%Packing: 200kg/bag FOB
- Price:
- Time: 2019/02/26
Inquire
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- Tel:86-22-58058776, 23359620
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