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CAS No.: | 15674-67-6 |
---|---|
Name: | 3-(DIETHYLAMINO)PROPIONIC ACID HYDROCHLORIDE |
Molecular Structure: | |
Formula: | C7H16ClNO2 |
Molecular Weight: | 181.663 |
Synonyms: | b-Alanine, N,N-diethyl-,hydrochloride (7CI,8CI,9CI);3-(Diethylamino)propanoic acid hydrochloride;3-(Diethylamino)propionic acid hydrochloride;3-(N,N-Diethylamino)propionicacid hydrochloride;N,N-Diethyl-b-alanine hydrochloride; |
EINECS: | 239-751-6 |
Density: | 0.994 g/cm3 |
Melting Point: | 146-148 °C(lit.) |
Boiling Point: | 226.2 °C at 760 mmHg |
Flash Point: | 90.6 °C |
Solubility: | almost transparency |
Appearance: | white to off-white crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 40.54000 |
LogP: | 1.60490 |
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The beta-Alanine, N,N-diethyl-,hydrochloride (1:1), with the CAS registry number 15674-67-6, is also known as N,N-Diethyl-beta-alanine hydrochloride. It belongs to the product categories of Linear Core Amino Acids; Peptide Synthesis; Unnatural Amino Acid Derivatives. Its EINECS number is 239-751-6. This chemical's molecular formula is C7H16ClNO2 and molecular weight is 181.66. Its IUPAC name is called 3-(diethylamino)propanoic acid hydrochloride.
Physical properties of beta-Alanine, N,N-diethyl-,hydrochloride (1:1): (1)ACD/LogP: 0.93; (2)ACD/LogD (pH 5.5): -1.57; (3)ACD/LogD (pH 7.4): -1.57; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Flash Point: 90.6 °C; (12)Enthalpy of Vaporization: 50.98 kJ/mol; (13)Boiling Point: 226.2 °C at 760 mmHg; (14)Vapour Pressure: 0.0301 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCN(CC)CCC(=O)O.Cl
(2)InChI: InChI=1S/C7H15NO2.ClH/c1-3-8(4-2)6-5-7(9)10;/h3-6H2,1-2H3,(H,9,10);1H
(3)InChIKey: QQVHFNAGPZTCBE-UHFFFAOYSA-N