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754167-24-3

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Basic Information
CAS No.: 754167-24-3
Name: 3-(N,N-Diethylamino)-L-alanine
Article Data: 2
Molecular Structure:
Molecular Structure of 754167-24-3 (3-(N,N-Diethylamino)-L-alanine)
Formula: C7H16N2O2
Molecular Weight: 160.216
Synonyms: L-Alanine, 3-(diethylamino)- (9CI);D-β-(N,N-diethylamino) alanine;(S)-2-Amino-3-(diethylamino)propanoic acid;
Density: 1.067 g/cm3
Boiling Point: 246.8 °C at 760 mmHg
Flash Point: 103 °C
PSA: 66.56000
LogP: 0.44040
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Specification

The CAS register number of 3-(N,N-Diethylamino)-L-alanine is 754167-24-3. It also can be called as (S)-2-Amino-3-(diethylamino)propanoic acid and the systematic name about this chemical is L-alanine, 3-(diethylamino)-. The molecular formula about this chemical is C7H16N2O2 and the molecular weight is 160.21. It belongs to the following product categories which include Aminetertiary; Glycinescaffold; Amino Acids and so on.

Physical properties about 3-(N,N-Diethylamino)-L-alanine are: (1)ACD/LogP: 0.51; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 6; (9)Polar Surface Area: 66.56 Å2; (10)Index of Refraction: 1.488; (11)Molar Refractivity: 43.25 cm3; (12)Molar Volume: 150 cm3; (13)Polarizability: 17.14x10-24cm3; (14)Surface Tension: 43.1 dyne/cm; (15)Density: 1.067 g/cm3; (16)Flash Point: 103 °C; (17)Enthalpy of Vaporization: 53.29 kJ/mol; (18)Boiling Point: 246.8 °C at 760 mmHg; (19)Vapour Pressure: 0.00861 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCN(CC)C[C@@H](C(=O)O)N
(2)InChI: InChI=1/C7H16N2O2/c1-3-9(4-2)5-6(8)7(10)11/h6H,3-5,8H2,1-2H3,(H,10,11)/t6-/m0/s1
(3)InChIKey: MWPNPNLDBXDQCC-LURJTMIEBN
(4)Std. InChI: InChI=1S/C7H16N2O2/c1-3-9(4-2)5-6(8)7(10)11/h6H,3-5,8H2,1-2H3,(H,10,11)/t6-/m0/s1
(5)Std. InChIKey: MWPNPNLDBXDQCC-LURJTMIESA-N