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PEROCAN CITRATE (28416-66-2)

Identification
Name:PEROCAN CITRATE
Synonyms:(3-cyano-2-methyl-3-phenylhexane-5-yl)dimethylammonium dihydrogen (2-hydroxypropane-1,2,3-tricarboxylate)
CAS:28416-66-2
EINECS: 249-011-4
Molecular Formula: C16H24N2 . C6H8O7
Molecular Weight: 436.56
InChI: InChI=1/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)/p-2
Molecular Structure: (C16H24N2.C6H8O7) (3-cyano-2-methyl-3-phenylhexane-5-yl)dimethylammonium dihydrogen (2-hydroxypropane-1,2,3-tricarboxy...
Properties
Flash Point: 136.2°C
Boiling Point: 346.1°Cat760mmHg
Density:0.952g/cm3
Specification:

Descriptors computed from structure, you can know some information about Isoaminile citrate (CAS NO.28416-66-2) :
Canonical SMILES: CC(C)C(CC(C)N(C)C)(C#N)C1=CC=CC=C1.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
InChI: 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

Flash Point: 136.2°C
Safety Data
 

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