4-Piperidinone,2-methyl-, hydrochloride (1:1) supplier

Name
2-METHYL-4-PIPERIDINONE HYDROCHLORIDE
EINECS 200-589-5
CAS No. 13729-77-6
Density
Solubility
Melting Point
Formula C₆H₁₂ClNO
Boiling Point
Molecular Weight 149.62
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Piperidinone,2-methyl-, hydrochloride (9CI);4-Piperidone, 2-methyl-, hydrochloride (8CI);2-Methylpiperidin-4-one hydrochloride;2-Methyl-4-piperidone hydrochloride;
PSA 29.10000
LogP 1.45820

4-Piperidinone,2-methyl-, hydrochloride (1:1) Specification

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

Product Name

2-METHYL-4-PIPERIDINONE HYDROCHLORIDE

4-Piperidinone,2-methyl-, hydrochloride (1:1) Specification

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