(S)-3-METHYL-2-((PHENOXYCARBONYL)AMINO)BUTANOIC ACID
(S)-3-METHYL-2-((PHENOXYCARBONYL)AMINO)BUTANOIC ACID structure
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Common Name | (S)-3-METHYL-2-((PHENOXYCARBONYL)AMINO)BUTANOIC ACID | ||
|---|---|---|---|---|
| CAS Number | 126147-70-4 | Molecular Weight | 237.25200 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C12H15NO4 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
Summary: (S)-3-METHYL-2-((PHENOXYCARBONYL)AMINO)BUTANOIC ACID, also known as (2S)-3-methyl-2-(phenoxycarbonylamino)butanoic acid, with CAS number 126147-70-4, has a molecular formula of C12H15NO4 and a molecular weight of 237.25200. This compound is a solid. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | (2S)-3-methyl-2-(phenoxycarbonylamino)butanoic acid |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Molecular Formula | C12H15NO4 |
|---|---|
| Molecular Weight | 237.25200 |
| Exact Mass | 237.10000 |
| PSA | 75.63000 |
| LogP | 2.27510 |
| InChIKey | HVJMEAOTIUMIBJ-JTQLQIEISA-N |
| SMILES | CC(C)C(NC(=O)Oc1ccccc1)C(=O)O |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| HS Code | 2924299090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~99%
(S)-3-METHYL-2-... CAS#:126147-70-4 |
| Literature: Wuts, Peter G. M.; Pruitt, Lynn E. Synthesis, 1989 , # 8 p. 622 - 623 |
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~%
(S)-3-METHYL-2-... CAS#:126147-70-4 |
| Literature: US6022989 A1, ; |
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~58%
(S)-3-METHYL-2-... CAS#:126147-70-4 |
| Literature: Yamada, Shuhei; Koga, Koichi; Sudo, Atsushi; Goto, Mitsuaki; Endo, Takeshi Journal of Polymer Science, Part A: Polymer Chemistry, 2013 , vol. 51, # 17 p. 3726 - 3731 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 8 | |
CAS#:17016-83-0![N-[2-Isopropylthiazol-4-ylmethyl(methyl)carbamoyl]-L-valine structure](https://image.chemsrc.com/caspic/072/154212-61-0.png)
CAS#:154212-61-0
CAS#:192725-50-1
CAS#:154248-99-4
CAS#:192725-17-0
CAS#:192800-77-4
CAS#:120626-97-3
CAS#:3989-97-7This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2924299090 |
|---|---|
| Summary | 2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| carbobenzoxy-L-valine |
| N-Phenoxycarbonyl-L-valine |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular weight of (2S)-3-methyl-2-(phenoxycarbonylamino)butanoic acid? |
| A: Molecular weight of (2S)-3-methyl-2-(phenoxycarbonylamino)butanoic acid is 237.25200. |
| Q: What is the CAS number of (2S)-3-methyl-2-(phenoxycarbonylamino)butanoic acid? |
| A: CAS number of (2S)-3-methyl-2-(phenoxycarbonylamino)butanoic acid is 126147-70-4. |
| Q: What English synonyms does (2S)-3-methyl-2-(phenoxycarbonylamino)butanoic acid have? |
| A: English synonyms of (2S)-3-methyl-2-(phenoxycarbonylamino)butanoic acid: carbobenzoxy-L-valine, N-Phenoxycarbonyl-L-valine. |
| Q: What is the polar surface area (PSA) of (2S)-3-methyl-2-(phenoxycarbonylamino)butanoic acid? |
| A: Polar surface area (PSA) of (2S)-3-methyl-2-(phenoxycarbonylamino)butanoic acid is 75.63000. |
| Q: What is the InChIKey of (2S)-3-methyl-2-(phenoxycarbonylamino)butanoic acid? |
| A: InChIKey of (2S)-3-methyl-2-(phenoxycarbonylamino)butanoic acid is HVJMEAOTIUMIBJ-JTQLQIEISA-N. |
| Q: What is the molecular formula of (2S)-3-methyl-2-(phenoxycarbonylamino)butanoic acid? |
| A: Molecular formula of (2S)-3-methyl-2-(phenoxycarbonylamino)butanoic acid is C12H15NO4. |
| Q: What are the downstream products of (2S)-3-methyl-2-(phenoxycarbonylamino)butanoic acid? |
| A: Related downstream products(CAS) of (2S)-3-methyl-2-(phenoxycarbonylamino)butanoic acid: 17016-83-0;154212-61-0;192725-50-1;154248-99-4;192725-17-0;192800-77-4;120626-97-3;3989-97-7. |
| Q: What is the English name of (2S)-3-methyl-2-(phenoxycarbonylamino)butanoic acid? |
| A: The English name of (2S)-3-methyl-2-(phenoxycarbonylamino)butanoic acid is (2S)-3-methyl-2-(phenoxycarbonylamino)butanoic acid. |
| Q: What are the upstream materials of (2S)-3-methyl-2-(phenoxycarbonylamino)butanoic acid? |
| A: Related upstream materials(CAS) of (2S)-3-methyl-2-(phenoxycarbonylamino)butanoic acid: 72-18-4;1885-14-9;1634-04-4;102-09-0. |
| Q: What is the SMILES notation of (2S)-3-methyl-2-(phenoxycarbonylamino)butanoic acid? |
| A: SMILES notation of (2S)-3-methyl-2-(phenoxycarbonylamino)butanoic acid is CC(C)C(NC(=O)Oc1ccccc1)C(=O)O. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |