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848396-10-1

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Basic Information
CAS No.: 848396-10-1
Name: 3-(N-Ethanolamino)-L-alanine
Molecular Structure:
Molecular Structure of 848396-10-1 (3-(N-Ethanolamino)-L-alanine)
Formula: C5H12N2O3
Molecular Weight: 155.156
Synonyms: (R)-2-amino-3-(imidazol-1-yl)propanoic acid;3-(N-Ethanolamino)-L-alanine;1H-Imidazole-1-propanoicacid,a-amino-,(aR)-(9CI);(R)-2-AMINO-3-(1H-IMIDAZOL-1-YL)PROPANOIC ACID;
Density: 1.44g/cm3
Boiling Point: 417.3 °C at 760 mmHg
Flash Point: 206.2 °C
PSA: 95.58000
LogP: -0.92860
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Specification

The 3-(N-Ethanolamino)-L-alanine, with cas registry number 848396-10-1, belongs to the following product categories: Amino Acids. It has the systematic name of 3-(1H-imidazol-1-yl)-D-alanine. And it is also called D-alanine, 3-(1H-imidazol-1-yl)-.

Physical properties about this chemical are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 5; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 81.14 Å2; (6)Index of Refraction: 1.631; (7)Molar Refractivity: 38.27 cm3; (8)Molar Volume: 107.3 cm3; (9)Polarizability: 15.17×10-24cm3; (10)Surface Tension: 63.9 dyne/cm; (11)Enthalpy of Vaporization: 70.71 kJ/mol; (12)Vapour Pressure: 1.04E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cn(cn1)CC(C(=O)O)N
(2)InChI: InChI=1/C6H9N3O2/c7-5(6(10)11)3-9-2-1-8-4-9/h1-2,4-5H,3,7H2,(H,10,11)/t5-/m1/s1
(3)InChIKey: FWBXNMSLCRNZOV-RXMQYKEDBM
(4)Std. InChI: InChI=1S/C6H9N3O2/c7-5(6(10)11)3-9-2-1-8-4-9/h1-2,4-5H,3,7H2,(H,10,11)/t5-/m1/s1
(5)Std. InChIKey: FWBXNMSLCRNZOV-RXMQYKEDSA-N