Choline dihydrogencitrate salt supplier

Name
Choline dihydrogencitrate salt
EINECS 201-068-6
CAS No. 77-91-8
Density
Solubility almost transparency
Melting Point 102 - 106oC
Formula C₆H₇O₇^.C₅H₁₄NO
Boiling Point 309.6 °C at 760 mmHg
Molecular Weight 295.29
Flash Point 155.2 °C
Transport Information
Appearance white crystalline powder
Safety 26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Neurotropan;Choline Dihydrogen Citrate(NF.XII);Ethanaminium,2-hydroxy-N,N,N-trimethyl-,salt with 2-hydroxy-1,2,3-propanetricarboxylic acid (1:1);Choline dihydrogencitrate;
PSA 155.19000
LogP -2.89830

Choline dihydrogencitrate salt Specification

This chemical is called Choline dihydrogencitrate salt, and it can also be named as (2-Hydroxyethyl)trimethylammonium dihydrogen citrate. With the molecular formula of C₆H₇O₇^.C₅H₁₄NO, its product categories are Biochemistry; Vitamin Related Compounds; Vitamins. The CAS registry number of this chemical is 77-91-8. Additionally, it should be stored at 2-8°C.

Other characteristics of the Choline dihydrogencitrate salt can be summarised as followings: (1)ACD/LogP: -1.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -6.53; (4)ACD/LogD (pH 7.4): -7.46; (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: 7; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 99.13 Å²; (13)Flash Point: 155.2 °C; (14)Enthalpy of Vaporization: 63.82 kJ/mol; (15)Boiling Point: 309.6 °C at 760 mmHg; (16)Vapour Pressure: 5.73E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: [O-]C(=O)C(O)(CC(=O)O)CC(=O)O.OCC[N+](C)(C)C
2.InChI: InChI=1/C6H8O7.C5H14NO/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-6(2,3)4-5-7/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);7H,4-5H2,1-3H3/q;+1/p-1
3.InChIKey: WRPUOFKIGGWQIJ-REWHXWOFAV

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intraperitoneal	> 4800mg/kg (4800mg/kg)	Drugs in Japan Vol. 6, Pg. 563, 1982.
mouse	LD50	intravenous	> 4800mg/kg (4800mg/kg)	Drugs in Japan Vol. 6, Pg. 563, 1982.
mouse	LD50	oral	> 4800mg/kg (4800mg/kg)	Drugs in Japan Vol. 6, Pg. 563, 1982.
mouse	LD50	subcutaneous	> 4800mg/kg (4800mg/kg)	Drugs in Japan Vol. 6, Pg. 563, 1982.
rat	LD50	intraperitoneal	> 4800mg/kg (4800mg/kg)	Drugs in Japan Vol. 6, Pg. 563, 1982.
rat	LD50	intravenous	> 4800mg/kg (4800mg/kg)	Drugs in Japan Vol. 6, Pg. 563, 1982.
rat	LD50	oral	> 4800mg/kg (4800mg/kg)	Drugs in Japan Vol. 6, Pg. 563, 1982.
rat	LD50	subcutaneous	> 4800mg/kg (4800mg/kg)	Drugs in Japan Vol. 6, Pg. 563, 1982.

Product Name

Choline dihydrogencitrate salt

Choline dihydrogencitrate salt Specification

Related Products

Hot Products