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| Name |
2-Propanone,1,3-diamino-, hydrochloride (1:2) |
EINECS | 263-230-2 |
| CAS No. | 61798-04-7 | Density | N/A |
| PSA | 69.11000 | LogP | 1.47750 |
| Solubility | N/A | Melting Point |
179 °C (lit.) |
| Formula | C3H10Cl2N2O | Boiling Point | 205 °C at 760 mmHg |
| Molecular Weight | 179.046 | Flash Point | 77.8 °C |
| Transport Information | N/A | Appearance | White to pale yellow or crystalline powder |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Propanone,1,3-diamino-, dihydrochloride (9CI);1,3-Diamino-2-propanone dihydrochloride;1,3-Diaminoacetone dihydrochloride;1,3-Diaminoacetone hydrochloride; |
2-Propanone,1,3-diamino-, hydrochloride (1:2) Specification
The 2-Propanone,1,3-diamino-, hydrochloride (1:2), with the CAS registry number 61798-04-7, is also known as 1,3-Diaminoacetone dihydrochloride . Its EINECS number is 263-230-2. This chemical's molecular formula is C3H10Cl2N2O and molecular weight is 161.03. What's more, its systematic name is 1,3-Diaminopropan-2-one dihydrochloride. It should be stored at room temperature.
Physical properties of 2-Propanone,1,3-diamino-, hydrochloride (1:2) are: (1)ACD/LogP: -1.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.18; (4)ACD/LogD (pH 7.4): -1.9; (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): 1.46; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 23.55 Å2; (13)Flash Point: 77.8 °C; (14)Enthalpy of Vaporization: 44.13 kJ/mol; (15)Boiling Point: 205 °C at 760 mmHg; (16)Vapour Pressure: 0.256 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(C(=O)CN)N.Cl.Cl
(2)InChI: InChI=1S/C3H8N2O.2ClH/c4-1-3(6)2-5;;/h1-2,4-5H2;2*1H
(3)InChIKey: GAOYTRAZVCVBEF-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LDLo | unreported | 1330mg/kg (1330mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 31, Pg. 481, 1927. |
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