3-(3,4-Dihydroxyphenyl-2,5,6-d3)-L-alanine
- Product Name3-(3,4-Dihydroxyphenyl-2,5,6-d3)-L-alanine
- CAS53587-29-4
- CBNumberCB0404367
- MFC9H8D3NO4
- MW200.21
- MDL NumberMFCD00075014
- MOL File53587-29-4.mol
Chemical Properties
| Melting point: | 292 °C (dec.)(lit.) |
| Boiling point: | 448.390±45.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 1.468±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted) |
| storage temp. | 2-8°C |
| solubility | Aqueous Acid (Sparingly) |
| form | Solid |
| pka | 2.240±0.20(predicted) |
| color | White to Off-White |
| optical activity | [α]27/D 11.5°, c = 5 in 1 M HCl |
| Water Solubility | Water: sparingly soluble |
| Stability: | Light Sensitive |
| InChI | 1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1/i1D,2D,4D |
| InChIKey | WTDRDQBEARUVNC-UOCCHMHCSA-N |
| SMILES | [2H]c1c([2H])c(C[C@H](N)C(O)=O)c([2H])c(O)c1O |
| CAS DataBase Reference | 53587-29-4 |
| CAS Number Unlabeled | 59-92-7 |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H302-H315-H319-H335 | |||||||||
| Precautionary statements | P261-P264-P270-P301+P312-P302+P352-P305+P351+P338 | |||||||||
| target organs | Respiratory system | |||||||||
| PPE | dust mask type N95 (US), Eyeshields, Gloves | |||||||||
| Hazard Codes | Xn | |||||||||
| Risk Statements | 22-36/37/38 | |||||||||
| Safety Statements | 26-36 | |||||||||
| WGK Germany | 3 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications |
Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
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| NFPA 704: |
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