2-Propanone,1,3-diamino-, hydrochloride (1:2) supplier

Name
1,3-DIAMINOACETONE DIHYDROCHLORIDE
EINECS 263-230-2
CAS No. 61798-04-7
Density
Solubility
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
Appearance White to pale yellow or crystalline powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Propanone,1,3-diamino-, dihydrochloride (9CI);1,3-Diamino-2-propanone dihydrochloride;1,3-Diaminoacetone dihydrochloride;1,3-Diaminoacetone hydrochloride;
PSA 69.11000
LogP 1.47750

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.

Product Name

1,3-DIAMINOACETONE DIHYDROCHLORIDE

2-Propanone,1,3-diamino-, hydrochloride (1:2) Specification

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