Introduction:Basic information about CAS 219909-83-8|3-[(2S,4S)-4-Mercaptopyrrolidine-2-carboxamido]benzoic acid hydrochloride, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-[(2S,4S)-4-Mercaptopyrrolidine-2-carboxamido]benzoic acid hydrochloride |
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| CAS Number | 219909-83-8 | Molecular Weight | 302.777 |
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| Density | / | Boiling Point | 564.1ºC at 760mmHg |
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| Molecular Formula | C12H15ClN2O3S | Melting Point | 212ºC |
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| MSDS | / | Flash Point | 295ºC |
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Names
| Name | 3-[[(2S,4S)-4-sulfanylpyrrolidine-2-carbonyl]amino]benzoic acid,hydrochloride |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Boiling Point | 564.1ºC at 760mmHg |
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| Melting Point | 212ºC |
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| Molecular Formula | C12H15ClN2O3S |
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| Molecular Weight | 302.777 |
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| Flash Point | 295ºC |
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| Exact Mass | 302.049194 |
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| PSA | 117.23000 |
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| LogP | 2.18740 |
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| Vapour Pressure | 1.46E-13mmHg at 25°C |
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| InChIKey | DDRIIBZWSJDJQQ-IYPAPVHQSA-N |
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| SMILES | Cl.O=C(O)c1cccc(NC(=O)C2CC(S)CN2)c1 |
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Safety Information
Customs
| HS Code | 2933990090 |
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| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| 3-{[(4S)-4-Sulfanyl-L-prolyl]amino}benzoic acid hydrochloride (1:1) |
| P024OE4203 |
| ThiaprolineaminobenzoicAcidHcl(TPAB) |
| side chain for ertapenem |
| 3-((2S,4S)-4-Mercaptopyrrolidine-2-carboxamido)benzoic acid hydrochloride |
| 3-{[(4S)-4-Sulfanyl-L-prolyl]amino}benzoic acid hydrochloride |
| 3-({[(2S,4S)-4-Sulfanyl-2-pyrrolidinyl]carbonyl}amino)benzoic acid hydrochloride |
| UNII-P024OE4203 |
| Benzoic acid, 3-[[[(2S,4S)-4-mercapto-2-pyrrolidinyl]carbonyl]amino]-, hydrochloride (1:1) |