CAS No.3342-61-8,deanol aceglumate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3342-61-8
Name:	deanol aceglumate

Formula:	C₇H₁₁NO₅^.C₄H₁₁NO
Molecular Weight:	278.3022
Synonyms:	2-(Dimethylamino)ethanol hydrogen N-acetylglutamate;Demanol aceglumate;L-Glutamic acid,N-acetyl-,compd. with 2-(dimethylamino)ethanol (1:1);Ethanol, 2-(dimethylamino)-, N-acetyl-L-glutamate (salt) (1:1);Dimethyl-amino-ethanol sel de lacetyl glutamate acide [French];Deanolo aceglumato [DCIT];Cleregil;N-Acetyl-L-glutamic acid compd. with 2-(dimethylamino)ethanol (1:1);2-(2-Dimethylamino)-ethanol hydrogen N-acetylglutamate;Aceglumato de deanol [INN-Spanish];Deanol aceglumate [INN];Glutamic acid, N-acetyl-, compd. with 2-(dimethylamino)ethanol (1:1), L-;Deanoli aceglumas [INN-Latin];Risatarun;Dimethylaminoethanol acetyl-L-glutamate;(2S)-2-acetamidopentanedioic acid; 2-dimethylaminoethanol;Aceglumate de deanol [INN-French];2-(Dimethylamino)ethanol N-acetylglutamate;Aceglumate de demanol;CR 121;Deanol aceglumate;
EINECS:	222-085-5
Boiling Point:	495.9 °C at 760 mmHg
Flash Point:	253.7 °C
PSA:	127.17000
LogP:	-0.62830

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Specification

The Otrun is an organic compound with the formula C₇H₁₁NO₅^.C₄H₁₁NO. The IUPAC name of this chemical is (2S)-2-acetamidopentanedioic acid; 2-(dimethylamino)ethanol. With the CAS registry number 3342-61-8, it is also named as N-Acetyl-L-glutamic acid - 2-(dimethylamino)ethanol (1:1).

Physical properties about Otrun are: (1)ACD/LogP: -2.24; (2)ACD/LogD (pH 5.5): -5.37; (3)ACD/LogD (pH 7.4): -6.98; (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: 6; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 72.91 Å²; (12)Flash Point: 253.7 °C; (13)Enthalpy of Vaporization: 83.6 kJ/mol; (14)Boiling Point: 495.9 °C at 760 mmHg; (15)Vapour Pressure: 3.48E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](NC(=O)C)CCC(=O)O.OCCN(C)C
(2)InChI: InChI=1/C7H11NO5.C4H11NO/c1-4(9)8-5(7(12)13)2-3-6(10)11;1-5(2)3-4-6/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13);6H,3-4H2,1-2H3/t5-;/m0./s1
(3)InChIKey: WKAVKKUXZAWHDM-JEDNCBNOBG
(4)Std. InChI: InChI=1S/C7H11NO5.C4H11NO/c1-4(9)8-5(7(12)13)2-3-6(10)11;1-5(2)3-4-6/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13);6H,3-4H2,1-2H3/t5-;/m0./s1
(5)Std. InChIKey: WKAVKKUXZAWHDM-JEDNCBNOSA-N