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219921-94-5

Basic Information
CAS No.: 219921-94-5
Name: L-Glutamic acid, N-acetyl-, compd. with (αS)-α-(2-methylpropyl)-2-(1-piperidinyl)benzenemethanamine (1:1)
Molecular Structure:
Molecular Structure of 219921-94-5 (L-Glutamic acid, N-acetyl-, compd. with (αS)-α-(2-methylpropyl)-2-(1-piperidinyl)benzenemethanamine (1:1))
Formula: C16H26N2.C7H11NO5
Molecular Weight: 435.56
Synonyms: (1S)-3-Methyl-1-[2-(piperidin-1-yl)phenyl]butan-1-amine N-acetyl-L-glutamate;(S)-3-Methyl-1-(2-piperidinophenyl)butylamine N-acetylglutamate salt;Benzenemethanamine, α-(2-methylpropyl)-2-(1-piperidinyl)-, (αS)-, N-acetyl-L-glutamate (1:1) (9CI);
EINECS: 606-883-4
Density: N/A
Melting Point: 168-171 °C
Boiling Point: N/A
Flash Point: N/A
Solubility: N/A
Appearance: White solid
Hazard Symbols: Xi
Risk Codes: 41
Safety: 26-39-24/25
Transport Information: N/A
PSA: 132.96000
LogP: 4.31950
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  • 219921-94-5  CAS NO.219921-94-5

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Specification

The (S)-3-Methyl-1-(2-piperidinophenyl)butylamine N-acetylglutamate salt, with the CAS registry number 219921-94-5, is also known as (1S)-3-Methyl-1-[2-(piperidin-1-yl)phenyl]butan-1-amine N-Acetyl-L-glutamate. It belongs to the product categories of Amines; Aromatics. This chemical's molecular formula is C16H26N2.C7H11NO5 and molecular weight is 435.56. What's more, its systematic name is N-Acetyl-L-glutamic acid-(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]-1-butanamine (1:1).

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)C[C@@H](c1ccccc1N2CCCCC2)N.CC(=O)N[C@@H](CCC(=O)O)C(=O)O
(2)Std. InChI: InChI=1S/C16H26N2.C7H11NO5/c1-13(2)12-15(17)14-8-4-5-9-16(14)18-10-6-3-7-11-18;1-4(9)8-5(7(12)13)2-3-6(10)11/h4-5,8-9,13,15H,3,6-7,10-12,17H2,1-2H3;5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t15-;5-/m00/s1
(3)Std. InChIKey: YPDMBMNFFPWTOV-NXMISADUSA-N