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14960-06-6

Basic Information
CAS No.: 14960-06-6
Name: N-DODECYL-B-IMINODIPROPIONIC ACID, MONOSODIUM SALT, ANAGRADE?
Molecular Structure:
Molecular Structure of 14960-06-6 (N-DODECYL-B-IMINODIPROPIONIC ACID, MONOSODIUM SALT, ANAGRADE?)
Formula: C18H35NNaO4
Molecular Weight: 352.46
Synonyms: Propionicacid, 3,3'-(dodecylimino)di-, monosodium salt (8CI);b-Alanine, N-(2-carboxyethyl)-N-dodecyl-,monosodium salt (9CI);Deriphat 106C;Tensan VS;
EINECS: 239-032-7
Density: 1.11[at 20℃]
Boiling Point: 481.6 °C at 760 mmHg
Flash Point: 245 °C
PSA: 80.67000
LogP: 2.82400
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  • N-DODECYL-B-IMINODIPROPIONIC ACID, MONOSODIUM SALT, ANAGRADE

  • Casno:

    14960-06-6

    N-DODECYL-B-IMINODIPROPIONIC ACID, MONOSODIUM SALT, ANAGRADE

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  • sodium N-(2-carboxyethyl)-N-dodecyl-beta-alaninate  CAS NO.14960-06-6

  • Casno:

    14960-06-6

    sodium N-(2-carboxyethyl)-N-dodecyl-beta-alaninate CAS NO.14960-06-6

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Specification

This chemical is called beta-Alanine, N-(2-carboxyethyl)-N-dodecyl-, monosodium salt, and its CAS registry number is 14960-06-6. With the molecular formula of C18H35NNaO4, its molecular weight is 352.46. 

Other characteristics of the beta-Alanine, N-(2-carboxyethyl)-N-dodecyl-, monosodium salt can be summarised as followings: (1)ACD/LogP: 5.52; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.09; (4)ACD/LogD (pH 7.4): 2.02; (5)ACD/BCF (pH 5.5): 3.42; (6)ACD/BCF (pH 7.4): 2.91; (7)ACD/KOC (pH 5.5): 8.89; (8)ACD/KOC (pH 7.4): 7.57; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 17; (12)Polar Surface Area: 66.84 Å2.

You can still convert the following datas into molecular structure: 
1.SMILES: [Na+].[O-]C(=O)CCN(CCCCCCCCCCCC)CCC(=O)O
2.InChI: InChI=1/C18H35NO4.Na/c1-2-3-4-5-6-7-8-9-10-11-14-19(15-12-17(20)21)16-13-18(22)23;/h2-16H2,1H3,(H,20,21)(H,22,23);/q;+1/p-1
3.InChIKey: LLKGTXLYJMUQJX-REWHXWOFAH