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Cas Database |
| Name |
tert-Butyl L-alaninate hydrochloride |
EINECS | 236-497-8 |
| CAS No. | 13404-22-3 | Density | N/A |
| PSA | 52.32000 | LogP | 2.17760 |
| Solubility | N/A | Melting Point |
168-175 °C (dec.) |
| Formula | C7H15NO2.HCl | Boiling Point | 163.1 °C at 760 mmHg |
| Molecular Weight | 181.663 | Flash Point | 37 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 22-24/25-36-26 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
H-Ala-OtBu·HCl;Alanine, tert-butyl ester, hydrochloride,L- (7CI,8CI);L-Alanine, 1,1-dimethylethyl ester, hydrochloride (9CI);(S)-2-Aminopropionic acid tert-butyl ester hydrochloride;(S)-Alaninetert-butyl ester hydrochloride;L-Alanine tert-butyl ester hydrochloride;tert-Butyl (S)-2-aminopropanoate hydrochloride; |
Article Data | 5 |
tert-Butyl L-alaninate hydrochloride Chemical Properties
IUPAC Name: tert-butyl (2S)-2-aminopropanoate hydrochloride
Synonyms of tert-Butyl L-alaninate hydrochloride (CAS NO.13404-22-3): L-Alanine tert-butyl ester hydrochloride
CAS NO: 13404-22-3
Molecular Formula: C7H15NO2.HCl
Molecular Weight: 181.66
Molecular Structure: 
EINECS: 236-497-8
H bond acceptors: 3
H bond donors: 2
Freely Rotating Bonds: 4
Polar Surface Area: 52.32 Å2
Flash Point: 78.9 °C
Enthalpy of Vaporization: 45.21 kJ/mol
Boiling Point: 206.8 °C at 760 mmHg
Vapour Pressure: 0.195 mmHg at 25°C
Melting Point: 168-175 °C (dec.)
Storage temp: 2-8°C
Product Categories of tert-Butyl L-alaninate hydrochloride (CAS NO.13404-22-3): Amino Acids Derivatives;Amino Acids;Alanine [Ala, A];Amino Acids and Derivatives;Amino Acid tert-Butyl Esters;Amino Acids (C-Protected);Biochemistry;Amino hydrochloride;A - HPeptide Synthesis;Alanine;Amino Acid Derivatives;Amino Acids;Modified Amino Acids;Peptide Synthesis
SMILES: Cl.NC(C)C(=O)OC(C)(C)C
InChI: InChI=1/C7H15NO2.ClH/c1-5(8)6(9)10-7(2,3)4;/h5H,8H2,1-4H3;1H
InChIKey: WIQIWPPQGWGVHD-UHFFFAOYAY
Std. InChI: InChI=1S/C7H15NO2.ClH/c1-5(8)6(9)10-7(2,3)4;/h5H,8H2,1-4H3;1H
Std. InChIKey: WIQIWPPQGWGVHD-UHFFFAOYSA-N
tert-Butyl L-alaninate hydrochloride Safety Profile
Safety Information about tert-Butyl L-alaninate hydrochloride (CAS NO.13404-22-3):
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 22-24/25-36-26
S22: Do not breathe dust.
S24/25: Avoid contact with skin and eyes.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36: Wear suitable protective clothing.
WGK Germany: 3
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