N-(2-Aminoethyl)-beta-Alanine monosodium salt, polymer with 1,4-butanediol, 1,6-diisocyanatohexane, 1,3-diisocyanatomethylbenzene, 2,2-dimethyl-1,3-propanediol, hexanedioic acid and 1,6-hexanediol
[CAS# 100545-61-7]

Identification

• Name: N-(2-Aminoethyl)-beta-Alanine monosodium salt, polymer with 1,4-butanediol, 1,6-diisocyanatohexane, 1,3-diisocyanatomethylbenzene, 2,2-dimethyl-1,3-propanediol, hexanedioic acid and 1,6-hexanediol
• Synonyms: Sodium; Adipic Acid; 3-(2-Aminoethylamino)Propanoate; Butane-1,4-Diol; 1,6-Diisocyanatohexane; 1,3-Diisocyanato-2-Methyl-Benzene
• Molecular Formula: C₄₃H₇₅N₆NaO₁₆
• Molecular Weight: 955.09
• CAS Registry Number: 100545-61-7
• SMILES: O=C=NC1=C(C(=CC=C1)N=C=O)C.O=C=NCCCCCCN=C=O.C(CCCO)CCO.C(CCO)CO.C(O)C(CO)(C)C.[Na+].C(C(=O)O)CCCC(=O)O.[O-]C(=O)CCNCCN
• InChI: 1S/C9H6N2O2.C8H12N2O2.C6H10O4.C6H14O2.C5H12N2O2.C5H12O2.C4H10O2.Na/c1-7-8(10-5-12)3-2-4-9(7)11-6-13;11-7-9-5-3-1-2-4-6-10-8-12;7-5(8)3-1-2-4-6(9)10;7-5-3-1-2-4-6-8;6-2-4-7-3-1-5(8)9;1-5(2,3-6)4-7;5-3-1-2-4-6;/h2-4H,1H3;1-6H2;1-4H2,(H,7,8)(H,9,10);7-8H,1-6H2;7H,1-4,6H2,(H,8,9);6-7H,3-4H2,1-2H3;5-6H,1-4H2;/q;;;;;;;+1/p-1
• InChIKey: HHPHOCTZHDPWCK-UHFFFAOYSA-M