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CAS No.: | 14960-06-6 |
---|---|
Name: | N-DODECYL-B-IMINODIPROPIONIC ACID, MONOSODIUM SALT, ANAGRADE? |
Molecular Structure: | |
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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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