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| CAS No.: | 3196-73-4 |
|---|---|
| Name: | Methyl 3-aminopropionate hydrochloride |
| Article Data: | 46 |
| Molecular Structure: | |
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|
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| Formula: | C4H9NO2.HCl |
| Molecular Weight: | 139.582 |
| Synonyms: | b-Alanine, methyl ester,hydrochloride (6CI,7CI,8CI,9CI);(3-Methoxy-3-oxopropyl)ammonium chloride;3-Aminopropanoic acid methyl ester hydrochloride;3-Aminopropionic acid methylester hydrochloride;3-Aminopropionic acid methyl ester monohydrochloride;Methyl 3-aminopropanoate hydrochloride;Methyl b-alaninate hydrochloride;b-Alanine methyl estermonohydrochloride;H-β-Ala-OMe·HCl; |
| EINECS: | 2017-001-1 |
| Density: | 1.013g/cm3 |
| Melting Point: | 103-105 °C |
| Boiling Point: | 151.8 °C at 760 mmHg |
| Flash Point: | 26.5 °C |
| Appearance: | white to off-white crystalline powder |
| Safety: | 24/25 |
| PSA: | 52.32000 |
| LogP: | 1.01050 |
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| Conditions | Yield |
|---|---|
| Stage #1: methanol With thionyl chloride for 1h; Cooling with ice; Stage #2: 3-amino propanoic acid at 20 - 66℃; for 6.5h; | 100% |
| With thionyl chloride for 3h; Reflux; | 100% |
| With thionyl chloride at 0 - 20℃; | 99% |
- 75-77-4
chloro-trimethyl-silane
- 107-95-9
3-amino propanoic acid
- 3196-73-4
methyl 3-aminopropanoate hydrochloride
| Conditions | Yield |
|---|---|
| In methanol at 20℃; for 24h; | 99% |
| Conditions | Yield |
|---|---|
| With hydrogen; potassium hydroxide In methanol at 30℃; under 15001.5 Torr; for 2h; | 98.6% |
- 67-56-1
methanol
- 3303-84-2
3-(tert-butyloxycarbonylamino)propionic acid
- 3196-73-4
methyl 3-aminopropanoate hydrochloride
| Conditions | Yield |
|---|---|
| With thionyl chloride at -40 - 40℃; | 94% |
| Conditions | Yield |
|---|---|
| With thionyl chloride In methanol |
- 67-56-1
methanol
- 3303-84-2
3-(tert-butyloxycarbonylamino)propionic acid
A
- 3196-73-4
methyl 3-aminopropanoate hydrochloride
B
- 6057-90-5
β-alanine hydrochloride
| Conditions | Yield |
|---|---|
| With acetyl chloride In ethyl acetate |
- 67-56-1
methanol
- 53588-95-7
3-<(tert-butoxycarbonyl)amino>propionitrile
- 3196-73-4
methyl 3-aminopropanoate hydrochloride
| Conditions | Yield |
|---|---|
| Stage #1: methanol With acetyl chloride at 0℃; for 0.666667h; Inert atmosphere; Stage #2: 3-<(tert-butoxycarbonyl)amino>propionitrile at 20℃; for 12h; Inert atmosphere; |
- 3196-73-4
methyl 3-aminopropanoate hydrochloride
- 1148-11-4
N-Benzyloxycarbonyl-L-proline
- 59543-05-4
N-benzyloxycarbonyl-L-prolyl-β-alanine methyl ester
| Conditions | Yield |
|---|---|
| Stage #1: N-Benzyloxycarbonyl-L-proline With 4-methyl-morpholine; isobutyl chloroformate In tetrahydrofuran at -25℃; for 0.166667h; Stage #2: methyl 3-aminopropanoate hydrochloride With 4-methyl-morpholine In tetrahydrofuran at -25℃; for 2h; | 100% |
- 3196-73-4
methyl 3-aminopropanoate hydrochloride
| Conditions | Yield |
|---|---|
| Stage #1: 4-{(4-Cyclohex-1-enylbenzyl)-[3-(3-trifluoromethoxyphenyl)acryloyl]amino}benzoic acid With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In DMF (N,N-dimethyl-formamide); dichloromethane; water at 20℃; for 0.5h; Stage #2: methyl 3-aminopropanoate hydrochloride With N-ethyl-N,N-diisopropylamine In DMF (N,N-dimethyl-formamide); dichloromethane; water at 40℃; for 3h; | 100% |
- 66493-39-8
4-(N-tert-butoxycarbonyl)aminobenzoic acid
- 3196-73-4
methyl 3-aminopropanoate hydrochloride
- 856251-41-7
3-[4-(tert-butoxycarbonylamino)benzoylamino]propionic acid methyl ester
| Conditions | Yield |
|---|---|
| Stage #1: 4-(N-tert-butoxycarbonyl)aminobenzoic acid With 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In DMF (N,N-dimethyl-formamide) at 20℃; for 1h; Stage #2: methyl 3-aminopropanoate hydrochloride In DMF (N,N-dimethyl-formamide) at 20℃; for 16h; | 100% |
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Chemistry
IUPAC Name: Methyl 3-aminopropanoate hydrochloride
Following is the structure of b-Alanine, methyl ester,hydrochloride (1:1) (CAS NO.3196-73-4):
Empirical Formula: C4H10ClNO2
Molecular Weight: 139.5807
Flash Point: 26.5 °C
Melting point: 103-105 °C
Storage tempreture: 2-8 °C
Enthalpy of Vaporization: 38.86 kJ/mol
Boiling Point: 151.8 °C at 760 mmHg
Vapour Pressure: 3.6 mmHg at 25 °C
Appearance: white to off-white crystalline powder
Product Categories of b-Alanine, methyl ester,hydrochloride (1:1) (CAS NO.3196-73-4): Amino Acids; β-Alanine [β-Ala]
Canonical SMILES: COC(=O)CCN.Cl
InChI: InChI=1S/C4H9NO2.ClH/c1-7-4(6)2-3-5;/h2-3,5H2,1H3;1H
InChIKey: XPGRZDJXVKFLHQ-UHFFFAOYSA-N
Toxicity Data With Reference
b-Alanine, methyl ester,hydrochloride (1:1) (CAS NO.3196-73-4) hasn't been listed as a carcinogen by NTP, IARC, ACGIH, or CA Prop 65. And the toxicological properties have not been fully investigated.
Safety Profile
Safety Statements: 24/25
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
F: 3-10
Specification
b-Alanine, methyl ester,hydrochloride (1:1) , its cas register number is 3196-73-4. It also can be called Methyl 3-aminopropionate hydrochloride ; and Methyl 3-aminopropionate hydrochloride .
b-Alanine, methyl ester,hydrochloride (1:1) (CAS NO.3196-73-4) should avoid the condition of incompatible materials, exposure to moist air or water. Its hazardous decomposition products are nitrogen oxides, carbon monoxide, carbon dioxide. However, its hazardous polymerization will not occur.