
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 56116-62-2 |
| Catalog No. | 2A-9081287 |
| Chinese Name | 4-氯苯甲酰-L-色氨酸钙盐 |
| Synonyms | EINECS 260-001-9; Calcium bis[(2S)-2-[(4-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate] |
| Molecular Formula | C36H28O6N4Cl2Ca1 |
| Molecular Weight | 723.62 |
| Boiling Point | 643.7ºC at 760 mmHg |
| Appearance | Solid;White to Orange to Green powder to crystal |
| Storage Condition | Store under inert gas; avoid moisture (hygroscopic |
| MDL Number | MFCD29049363 |
| SMILES | O=C(NC(Cc1c[nH]c2ccccc12)C(=O)[O-])c1ccc(Cl)cc1.O=C(NC(Cc1c[nH]c2ccccc12)C(=O)[O-])c1ccc(Cl)cc1.[Ca+2] |
| InChI | InChI=1S/2C18H15ClN2O3.Ca/c2*19-13-7-5-11(6-8-13)17(22)21-16(18(23)24)9-12-10-20-15-4-2-1-3-14(12)15;/h2*1-8,10,16,20H,9H2,(H,21,22)(H,23,24);/q;;+2/p-2/t2*16-;/m00./s1 |
| InChI Key | BTTZKEFKFLGNEC-WUBQCMAVSA-L |
| MSDS | msds/81287_1_56116_62_2.pdf |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information United Nations classification: inconsistent with United Nations classification standards UN number: not specified |
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