CAS No.3655-00-3,N-DODECYL-B-IMINODIPROPIONIC ACID, DISODIUM SALT, ANAGRADE? Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3655-00-3
Name:	N-DODECYL-B-IMINODIPROPIONIC ACID, DISODIUM SALT, ANAGRADE?

Formula:	C₁₈H₃₃NNa₂O₄
Molecular Weight:	373.4385
Synonyms:	Propionicacid, 3,3'-(dodecylimino)di-, disodium salt (6CI,7CI,8CI);b-Alanine, N-(2-carboxyethyl)-N-dodecyl-,disodium salt (9CI);Deriphat 160;Disodium 3,3'-(dodecylimino)bis(propionate);Disodium N-lauryl-b,b'-iminodipropionate;DisodiumN-lauryl-b-iminodipropionate;Disodiumlauriminodipropionate;Disodium lauryl-b-iminodipropionate;Disodium b,b'-(laurylimino)dipropionate;Mirataine H 2C;MirataineH 2C-HA;N-Lauryl-N,N-di(b-carboxyethyl)amine disodium salt;N-Lauryl-b-iminodipropionate sodium salt;Rewoteric AM-LP;Sodium N-dodecyliminodipropionate;Sodium N-lauryl-b-iminodipropionate;
EINECS:	222-899-0
Boiling Point:	481.6 °C at 760 mmHg
Flash Point:	245 °C
PSA:	83.50000
LogP:	1.48930

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Specification

The Disodium lauriminodipropionate with the cas number 3655-00-3 is also called Disodium 3,3'-(dodecylimino)bis(propionate). The IUPAC name is disodium 3-[dodecyl-(3-oxido-3-oxopropyl)amino]propanoate. Its EINECS registry number is 222-899-0. The molecular formula is C₁₈H₃₃NNa₂O₄.

The properties of the chemical are: (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: 77.84 Å²; (13)Enthalpy of Vaporization: 81.74 kJ/mol; (14)Vapour Pressure: 1.35×10^-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].[O-]C(=O)CCN(CCCCCCCCCCCC)CCC([O-])=O
(2)InChI: InChI=1/C18H35NO4.2Na/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;2*+1/p-2
(3)InChIKey: KSDGSKVLUHKDAL-NUQVWONBAR