Basic Information | Post buying leads | Suppliers |
Name |
1-Piperidineethanamine,hydrochloride (1:2) |
EINECS | N/A |
CAS No. | 100911-49-7 | Density | N/A |
PSA | 29.26000 | LogP | 2.67320 |
Solubility | N/A | Melting Point |
181 °C (ethanol) |
Formula | C7H18Cl2N2 | Boiling Point | 186 °C at 760 mmHg |
Molecular Weight | 201.14 | Flash Point | 57.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-(2-Aminoethyl)piperidine dihydrochloride;2-Piperidin-1-ylethanamine dihydrochloride;N-(2-Aminoethyl)piperidine dihydrochloride;Piperidine, 1-(2-aminoethyl)-, dihydrochloride; |
The 1-Piperidineethanamine,hydrochloride (1:2), with the CAS registry number 100911-49-7, is also known as 1-(2-Aminoethyl)piperidine dihydrochloride. The molecular formula of this chemical is C7H18Cl2N2 and molecular weight is 201.14. What's more, its systematic name is 2-Piperidin-1-ylethanamine dihydrochloride. Its classification code is Drug/Therapeutic Agent.
Physical properties of 1-Piperidineethanamine,hydrochloride (1:2) are: (1)ACD/LogP: 0.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.31; (4)ACD/LogD (pH 7.4): -1.98; (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: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 6.48 Å2; (13) Flash Point: 57.8 °C; (14)Enthalpy of Vaporization: 42.22 kJ/mol; (15)Boiling Point: 186 °C at 760 mmHg; (16)Vapour Pressure: 0.678 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCN(CC1)CCN.Cl.Cl
(2)InChI: InChI=1S/C7H16N2.2ClH/c8-4-7-9-5-2-1-3-6-9;;/h1-8H2;2*1H
(3)InChIKey: PPWONLVBRFSCTK-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intramuscular | 1150mg/kg (1150mg/kg) | Therapie. Vol. 11, Pg. 821, 1956. Link to PubMed | |
mouse | LD50 | intravenous | 200mg/kg (200mg/kg) | Therapie. Vol. 11, Pg. 821, 1956. Link to PubMed | |
rat | LD50 | intramuscular | 860mg/kg (860mg/kg) | Therapie. Vol. 11, Pg. 821, 1956. Link to PubMed | |
rat | LD50 | intravenous | 215mg/kg (215mg/kg) | Therapie. Vol. 11, Pg. 821, 1956. Link to PubMed |