H-Ala-OtBu.HCl
H-Ala-OtBu.HCl structure
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Common Name | H-Ala-OtBu.HCl | ||
|---|---|---|---|---|
| CAS Number | 13404-22-3 | Molecular Weight | 181.660 | |
| Density | N/A | Boiling Point | 206.8ºC at 760 mmHg | |
| Molecular Formula | C7H16ClNO2 | Melting Point | 168-175 °C (dec.) | |
| MSDS | USA | Flash Point | 78.9ºC | |
Use of H-Ala-OtBu.HClH-Ala-OtBu.HCl is an alanine derivative[1]. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | tert-Butyl L-alaninate hydrochloride |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | H-Ala-OtBu.HCl is an alanine derivative[1]. |
|---|---|
| Related Catalog | |
| In Vitro | Amino acids and amino acid derivatives have been commercially used as ergogenic supplements. They influence the secretion of anabolic hormones, supply of fuel during exercise, mental performance during stress related tasks and prevent exercise induced muscle damage. They are recognized to be beneficial as ergogenic dietary substances[1]. |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Boiling Point | 206.8ºC at 760 mmHg |
|---|---|
| Melting Point | 168-175 °C (dec.) |
| Molecular Formula | C7H16ClNO2 |
| Molecular Weight | 181.660 |
| Flash Point | 78.9ºC |
| Exact Mass | 181.086960 |
| PSA | 52.32000 |
| LogP | 2.17760 |
| Vapour Pressure | 2.1mmHg at 25°C |
| Index of Refraction | 2.0 ° (C=2, EtOH) |
| InChIKey | WIQIWPPQGWGVHD-JEDNCBNOSA-N |
| SMILES | CC(N)C(=O)OC(C)(C)C.Cl |
| Storage condition | 2-8°C |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Hazard Codes | Xi: Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S22-S24/25 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2922499990 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~84%
H-Ala-OtBu.HCl CAS#:13404-22-3 |
| Literature: Kurimura; Takemoto; Achiwa Chemical and Pharmaceutical Bulletin, 1991 , vol. 39, # 10 p. 2590 - 2596 |
|
~%
H-Ala-OtBu.HCl CAS#:13404-22-3 |
| Literature: US4730006 A1, ; |
|
~%
H-Ala-OtBu.HCl CAS#:13404-22-3 |
| Literature: European Journal of Medicinal Chemistry, , vol. 44, # 9 p. 3765 - 3770 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 2 | |
![N-[(S)-1-Ethoxycarbonyl-3-phenylpropyl]-L-alanine structure](https://image.chemsrc.com/caspic/376/82717-96-2.png)
CAS#:82717-96-2This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2922499990 |
|---|---|
| Summary | HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| H-Ala-OtBu��HCl |
| L-Alanine tert-Butyl Ester Hydrochloride |
| H-Ala-Otbu·Hcl |
| (S)-2-Aminopropionic acid tert-Butyl ester hydrochloride |
| tert-Butyl L-alaninate hydrochloride (1:1) |
| tert-butyl (2S)-2-aminopropanoate,hydrochloride |
| 2-Methyl-2-propanyl (2S)-2-aminopropanoate hydrochloride |
| 2-Methyl-2-propanyl L-alaninate hydrochloride (1:1) |
| MFCD00035524 |
| 2-Methyl-2-propanyl L-alaninate hydrochloride |
| tert-Butyl (S)-2-Aminopropionate Hydrochloride |
| EINECS 236-497-8 |
| L-Alanine, 1,1-dimethylethyl ester, hydrochloride (1:1) |
| (S)-tert-Butyl 2-aminopropanoate hydrochloride |
| H-Ala-OtBu.HCl |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the uses of tert-Butyl L-alaninate hydrochloride? |
| A: Main uses of tert-Butyl L-alaninate hydrochloride: H-Ala-OtBu.HCl is an alanine derivative[1]. |
| Q: What is the SMILES notation of tert-Butyl L-alaninate hydrochloride? |
| A: SMILES notation of tert-Butyl L-alaninate hydrochloride is CC(N)C(=O)OC(C)(C)C.Cl. |
| Q: What is the boiling point of tert-Butyl L-alaninate hydrochloride? |
| A: Boiling point of tert-Butyl L-alaninate hydrochloride is 206.8ºC at 760 mmHg. |
| Q: What is the InChIKey of tert-Butyl L-alaninate hydrochloride? |
| A: InChIKey of tert-Butyl L-alaninate hydrochloride is WIQIWPPQGWGVHD-JEDNCBNOSA-N. |
| Q: What is the safety information for tert-Butyl L-alaninate hydrochloride? |
| A: Safety information for tert-Butyl L-alaninate hydrochloride: S22-S24/25. |
| Q: What is the LogP of tert-Butyl L-alaninate hydrochloride? |
| A: LogP of tert-Butyl L-alaninate hydrochloride is 2.17760. |
| Q: What is the English name of tert-Butyl L-alaninate hydrochloride? |
| A: The English name of tert-Butyl L-alaninate hydrochloride is tert-Butyl L-alaninate hydrochloride. |
| Q: What is the CAS number of tert-Butyl L-alaninate hydrochloride? |
| A: CAS number of tert-Butyl L-alaninate hydrochloride is 13404-22-3. |
| Q: What are the upstream materials of tert-Butyl L-alaninate hydrochloride? |
| A: Related upstream materials(CAS) of tert-Butyl L-alaninate hydrochloride: 50300-96-4;540-88-5;56-41-7;58177-77-8. |
| Q: What are the storage conditions for tert-Butyl L-alaninate hydrochloride? |
| A: Storage conditions for tert-Butyl L-alaninate hydrochloride: 2-8°C. |
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. |