1. Nombres y Identificadores
- 1.1 Nombre del producto
- Z-PRO-ONP
- 1.2 Sinónimos
- Z-PRO-ONP;Z-PROLINE-ONP;ZL-PROLINE 4-NITROFENIL ESTER;ZL-PROLINE NITROFENIL ESTER;P-NITROFENILCARBOBENZOXY-L-PROLINE;N-CARBOBENZOXY-L-PROLINE-P-NITROFENILESTER;N-CBZ -L-PROLINE P-NITROFENIL ESTER;BENZILOXICARBONYL-L-PROLINE 4-NITROFENIL ESTER
- 1.3 CAS No.
- 3304-59-4
- 1.4 CID
- 10133728
- 1.5 Número EINECS
- 221-981-3
- 1.6 Fórmula molecular
- C19H18N2O6
- 1.7 Inchi
- InChI=1S/C19H18N2O6/c22-18(27-16-10-8-15(9-11-16)21(24)25)17-7-4-12-20(17)19(23)26-13-14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12-13H2/t17-/m0/s1
- 1.8 InchiKey
- GXUFIJVKXYWCAO-KRWDZBQOSA-N
- 1.9 Canónico SMILES
- C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]
- 1.10 Isómero SMILES
- C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]
2. Propiedades
- 2.1 Almacenamiento
- 2 8-° C
3. Seguridad
- 3.1 WGK Alemania
- 3
- 3.2 RTECS
- UY0750000
- 3.3 Seguridad y riesgos
-
| WGK Alemania |
3
|
| RTECS |
UY0750000
|
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
5. NMR El espectro.
6. Datos químicos computacionales
- Molecular Weight：370.36g/mol
- Molecular Formula：C19H18N2O6
- Compound Is Canonicalized：True
- Exact Mass：3.5
- XLogP3-AA：370.11648630
- Monoisotopic Mass：370.11648630
- Complexity：535
- Rotatable Bond Count：6
- Hydrogen Bond Donor Count：0
- Hydrogen Bond Acceptor Count：6
- Topological Polar Surface Area：102
- Heavy Atom Count：：27
- Defined Atom Stereocenter Count：1
- 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：AAADceB7OAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAABQAAAHgAEAAAADCzhmAYwzoMQRACJAiTSWwCCCAAgIgAoiAGObIoOJjKEsbuPOiDkxhGY6Ae40SIOAEAAAAAAAAAAgAAAAAAAAAAAAAAAAA==
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Tel:
Update Time:2024/11/15
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Update Time:2017/12/14
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Update Time:2018/11/21
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Update Time:2019/02/24
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Tel:
Update Time:2019/11/25
8. información real del producto
ES
