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CAS No.: | 3385-41-9 |
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Name: | AMMONIUM ADIPATE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C6H10O4.2H3N |
Molecular Weight: | 180.204 |
Synonyms: | Adipicacid, diammonium salt (8CI);Hexanedioic acid, diammonium salt (9CI); |
EINECS: | 222-196-9 |
Density: | 1.25g/cm3 |
Melting Point: | 152oC |
Boiling Point: | 338.5 °C at 760 mmHg |
Flash Point: | 172.7 °C |
Hazard Symbols: | C,Xi |
Risk Codes: | R34; R21 |
PSA: | 80.26000 |
LogP: | -1.20100 |
The Ammonium adipate with CAS registry number of 3385-41-9 is also known as Hexanedioic acid, ammonium salt (1:2). The IUPAC name is Diazanium hexanedioate. It belongs to product categories of Industrial/Fine Chemicals. Its EINECS registry number is 222-196-9. In addition, the formula is C6H10O4.2H3N and the molecular weight is 180.20. This chemcial is a white powder or transparent crystal. What's more, it is stable at normal temperature and pressure, and it should be sealed in a ventilated and dry place.
Physical properties about Ammonium adipate are: (1)ACD/LogP: 0.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.56; (4)ACD/LogD (pH 7.4): -4.54; (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: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Flash Point: 172.7 °C; (13)Enthalpy of Vaporization: 63.95 kJ/mol; (14)Boiling Point: 338.5 °C at 760 mmHg; (15)Vapour Pressure: 1.81E-05 mmHg at 25 °C.
Uses of Ammonium adipate: it is widely used in electronics industry instead of ammonium borate as working solution for preparation of aluminum electrolytic capacitors.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C(CCC(=O)[O-])CC(=O)[O-].[NH4+].[NH4+]
2. InChI: InChI=1S/C6H10O4.2H3N/c7-5(8)3-1-2-4-6(9)10;;/h1-4H2,(H,7,8)(H,9,10);2*1H3
3. InChIKey: ZRSKSQHEOZFGLJ-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
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guinea pig | LD50 | oral | 6700mg/kg (6700mg/kg) | Meditsina Truda i Promyshlennaya Ekologiya. Industrial Medicine and Ecology. Vol. (1), Pg. 45, 1993. | |
mammal (species unspecified) | LC | inhalation | > 226mg/m3 (226mg/m3) | BLOOD: "CHANGES IN SERUM COMPOSITION (E.G., TP, BILIRUBIN, CHOLESTEROL)" | Meditsina Truda i Promyshlennaya Ekologiya. Industrial Medicine and Ecology. Vol. (1), Pg. 45, 1993. |
mouse | LD50 | oral | 6gm/kg (6000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Meditsina Truda i Promyshlennaya Ekologiya. Industrial Medicine and Ecology. Vol. (7), Pg. 37, 1994. |
rat | LD50 | oral | 10040mg/kg (10040mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Meditsina Truda i Promyshlennaya Ekologiya. Industrial Medicine and Ecology. Vol. (7), Pg. 37, 1994. |