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CAS No.: | 143254-82-4 |
---|---|
Name: | 1-Chlorocarbonyl-4-piperidinopiperidine hydrochloride |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C11H19ClN2O.HCl |
Molecular Weight: | 267.199 |
Synonyms: | [1,4'-Bipiperidine]-1'-carbonylchloride, monohydrochloride (9CI);[1,4'-Bipiperidine]-1'-carbonyl chloride hydrochloride; |
EINECS: | 686-744-2 |
Boiling Point: | 344.5 °C at 760 mmHg |
Flash Point: | 162.1 °C |
Appearance: | power |
Hazard Symbols: | Xi |
Risk Codes: | 36/38 |
Safety: | 26-28 |
PSA: | 23.55000 |
LogP: | 2.97330 |
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The [1,4'-Bipiperidine]-1'-carbonylchloride, hydrochloride (1:1) is an organic compound with the formula C11H19ClN2O.HCl. The IUPAC name of this chemical is 4-piperidin-1-ylpiperidine-1-carbonyl chloride hydrochloride. With the CAS registry number 143254-82-4, it is also named as 1-Chlorocarbonyl-4-piperidinopiperidine hydrochloride. The product's category is Piperidine. In addition, the molecular weight is 267.20.
The other characteristics of [1,4'-Bipiperidine]-1'-carbonylchloride, hydrochloride (1:1) can be summarized as: (1)ACD/LogP: 1.60; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 3; (7)#H bond acceptors: 3; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 23.55 Å2; (11)Flash Point: 162.1 °C; (12)Enthalpy of Vaporization: 58.84 kJ/mol; (13)Boiling Point: 344.5 °C at 760 mmHg; (14)Vapour Pressure: 6.57E-05 mmHg at 25°C; (15)Rotatable Bond Count: 1; (16)Exact Mass: 266.095269; (17)MonoIsotopic Mass: 266.095269; (18)Topological Polar Surface Area: 23.6; (19)Heavy Atom Count: 16; (20)Complexity: 221.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. After contact with skin, wash immediately with plenty of soap-suds.
People can use the following data to convert to the molecule structure.
1. SMILES:Cl.ClC(=O)N2CCC(N1CCCCC1)CC2
2. InChI:InChI=1/C11H19ClN2O.ClH/c12-11(15)14-8-4-10(5-9-14)13-6-2-1-3-7-13;/h10H,1-9H2;1H
3. InChIKey:VBXXNCHZAMNCBX-UHFFFAOYAR
4. Std. InChI:InChI=1S/C11H19ClN2O.ClH/c12-11(15)14-8-4-10(5-9-14)13-6-2-1-3-7-13;/h10H,1-9H2;1H
5. Std. InChIKey:VBXXNCHZAMNCBX-UHFFFAOYSA-N