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84540-26-1

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Basic Information
CAS No.: 84540-26-1
Name: potassium N-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]-beta-alaninate
Molecular Structure:
Molecular Structure of 84540-26-1 (potassium N-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]-beta-alaninate)
Formula: C13H25KN2O2
Molecular Weight: 280.45
Synonyms: Potassium 3-[(5-amino-1,3,3-trimethyl-cyclohexyl)methylamino]propanoate;Potassium N-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]-β-alaninate;β-Alanine,N-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]-, monopotassium salt(9Cl);
EINECS: 283-118-7
PSA: 78.18000
LogP: 1.35090
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  • β-Alanine,N-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]-, monopotassium salt

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    84540-26-1

    β-Alanine,N-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]-, monopotassium salt

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Specification

The β-Alanine,N-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]-, monopotassium salt, with the CAS registry number 84540-26-1, is also known as Potassium N-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]-β-alaninate. Its EINECS number is 283-118-7. This chemical's molecular formula is C13H25KN2O2 and molecular weight is 280.45. What's more, its systematic name is potassium 3-[(5-amino-1,3,3-trimethyl-cyclohexyl)methylamino]propanoate. 

Physical properties of β-Alanine,N-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]-, monopotassium salt are: (1)#H bond acceptors: 4; (2)#H bond donors: 4; (3)#Freely Rotating Bonds: 6; (4)Polar Surface Area: 78.18 Å2.

You can still convert the following datas into molecular structure:
(1)SMILES: [K+].NC1CC(C)(C)CC(C)(CNCCC([O-])=O)C1
(2)InChI: InChI=1S/C13H26N2O2.K/c1-12(2)6-10(14)7-13(3,8-12)9-15-5-4-11(16)17;/h10,15H,4-9,14H2,1-3H3,(H,16,17);/q;+1/p-1
(3)InChIKey: JNGPOWHIVCOUNQ-UHFFFAOYSA-M