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| CAS No.: | 372195-85-2 |
|---|---|
| Name: | 4-Butylpiperidine hydrochloride |
| Molecular Structure: | |
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| Formula: | C9H20ClN |
| Molecular Weight: | 177.717 |
| Synonyms: | Piperidine,4-butyl-, hydrochloride (9CI); |
| PSA: | 12.03000 |
| LogP: | 3.30700 |
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Specification
The Piperidine,4-butyl-, hydrochloride (1:1), with the CAS registry number 372195-85-2, has the systematic name and IUPAC name of 4-butylpiperidine hydrochloride (1:1). It belongs to the product category of Piperidine. And the molecular formula of the chemical is C9H20ClN.
The characteristics of Piperidine,4-butyl-, hydrochloride (1:1) are as followings: (1)H-Bond Donor 2; (2)H-Bond Acceptor 1; (3)Rotatable Bond Count 3; (4)Exact Mass 177.128427; (5)MonoIsotopic Mass 177.128427; (6)Topological Polar Surface Area 12; (7)Heavy Atom Count 11; (8)Formal Charge 0; (9)Complexity 74.8; (10)Isotope Atom Count 0; (11)Defined Atom StereoCenter Count 0; (12)Undefined Atom StereoCenter Count 0; (13)Defined Bond StereoCenter Count 0; (14)Undefined Bond StereoCenter Count 0; (15)Covalently-Bonded Unit Count 2.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCCCC1CCNCC1.Cl
(2)InChI: InChI=1/C9H19N.ClH/c1-2-3-4-9-5-7-10-8-6-9;/h9-10H,2-8H2,1H3;1H
(3)InChIKey: PJZNWESBJXCGSK-UHFFFAOYAK