Basic information
- Name:
2-Dimethylaminoethanol hydrogen L-(+)-tartrate
- CAS No.:
29870-28-8
- Molecular Structure:
- Formula:
- C4H11NO.C4H6O6
- Molecular Weight:
- 239.22
- Synonyms:
- DMAE L(+)-Bitartrate;2-(dimethylamino)ethanol 2,3-dihydroxybutanedioate (1:1);ethanol,2-(dimethylamino)-,[theta-(theta,theta)-2,3-dihydroxybutanediote;
- EINECS:
- 227-809-3
- Melting Point:
- 109-113 °C
- Boiling Point:
- 399.3 °C at 760 mmHg
- Flash Point:
- 209.4 °C
- Safety Description:
DetailsWGK Germany 2 RTECS KK7175000 F 3-10
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Specification
The 2-Dimethylaminoethanol hydrogen L-(+)-tartrate, with the cas registry number 29870-28-8, has the systematic name of 2-(dimethylamino)ethanol 2,3-dihydroxybutanedioate (1:1). And the molecular formula of the chemical is C8H17NO7.
The characteristics of this chemical are as followings: (1)ACD/LogP: -1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.86; (4)ACD/LogD (pH 7.4): -6.18; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 71.06 Å2; (13)Flash Point: 209.4 °C; (14)Enthalpy of Vaporization: 75.13 kJ/mol; (15)Boiling Point: 399.3 °C at 760 mmHg; (16)Vapour Pressure: 4.93E-08 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)C(O)C(O)C(=O)O.OCCN(C)C
(2)InChI: InChI=1/C4H11NO.C4H6O6/c1-5(2)3-4-6;5-1(3(7)8)2(6)4(9)10/h6H,3-4H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)
(3)InChIKey: UIEGYKVRCKDVKQ-UHFFFAOYAB
