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Isoaminilecitrate
[CAS# 126-10-3]

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CAS#: 126-10-3
Product: Isoaminilecitrate
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Identification
Name Isoaminilecitrate
Synonyms Citric Acid; 4-Dimethylamino-2-Isopropyl-2-Phenyl-Pentanenitrile; Citric Acid; 4-Dimethylamino-2-Isopropyl-2-Phenylpentanenitrile; Citric Acid; 4-Dimethylamino-2-Isopropyl-2-Phenyl-Valeronitrile
Molecular Structure CAS#: 126-10-3, Isoaminilecitrate
Molecular Formula C22H32N2O7
Molecular Weight 436.50
CAS Registry Number 126-10-3
SMILES C(C(O)(C(=O)O)CC(=O)O)C(=O)O.C1=C(C(C(C)C)(CC(N(C)C)C)C#N)C=CC=C1
InChI 1S/C16H24N2.C6H8O7/c1-13(2)16(12-17,11-14(3)18(4)5)15-9-7-6-8-10-15;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-10,13-14H,11H2,1-5H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKey ZXASMEUEMIIBDZ-UHFFFAOYSA-N
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