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Name |
4-Piperidinone,2-methyl-, hydrochloride (1:1) |
EINECS | 200-589-5 |
CAS No. | 13729-77-6 | Density | N/A |
PSA | 29.10000 | LogP | 1.45820 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H12ClNO | Boiling Point | N/A |
Molecular Weight | 149.62 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Piperidinone,2-methyl-, hydrochloride (9CI);4-Piperidone, 2-methyl-, hydrochloride (8CI);2-Methylpiperidin-4-one hydrochloride;2-Methyl-4-piperidone hydrochloride; |
The 4-Piperidinone,2-methyl-, hydrochloride (1:1), with the CAS registry number 13729-77-6, is also known as 2-Methyl-4-piperidone hydrochloride. This chemical's molecular formula is C6H12ClNO and molecular weight is 149.62. What's more, its systematic name is 2-methylpiperidin-4-one hydrochloride.
Computational chemistry data of 4-Piperidinone,2-methyl-, hydrochloride (1:1) are: (1)H-Bond Donor: 2; (2)H-Bond Acceptor: 2; (3)Rotatable Bond Count: 0; (4)Tautomer Count: 3; (5)Exact Mass: 149.060742; (6)MonoIsotopic Mass: 149.060742; (7)Topological Polar Surface Area: 29.1; (8)Heavy Atom Count: 9; (9)Formal Charge: 0; (10)Complexity: 101; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 1; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 2.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1CC(=O)CCN1.Cl
(2)InChI: InChI=1S/C6H11NO.ClH/c1-5-4-6(8)2-3-7-5;/h5,7H,2-4H2,1H3;1H
(3)InChIKey: ACXLFVKOKDSUOU-UHFFFAOYSA-N