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Basic Information
CAS No.: 100911-49-7
Name: N-(2-Aminoethyl)piperidine dihydrochloride
Molecular Structure:
Molecular Structure of 100911-49-7 (N-(2-Aminoethyl)piperidine dihydrochloride)
Formula: C7H18Cl2N2
Molecular Weight: 201.14
Synonyms: 1-(2-Aminoethyl)piperidine dihydrochloride;2-Piperidin-1-ylethanamine dihydrochloride;N-(2-Aminoethyl)piperidine dihydrochloride;Piperidine, 1-(2-aminoethyl)-, dihydrochloride;
Melting Point: 181 °C (ethanol)
Boiling Point: 186 °C at 760 mmHg
Flash Point: 57.8 °C
PSA: 29.26000
LogP: 2.67320
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Specification

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