DICARBOXIDINE DIHYDROCHLORIDE

Molecule structure of Dicarboxidine hydrochloride (CAS NO.56455-90-4):

IUPAC Name: 4-[2-Amino-5-[4-amino-3-(4-hydroxy-4-oxobutoxy)phenyl]phenoxy]butanoic acid dihydrochloride 
Molecular Weight: 461.33624 g/mol
Molecular Formula: C₂₀H₂₆Cl₂N₂O₆ 
Boiling Point: 677.3 °C at 760 mmHg
Flash Point: 363.4 °C
Enthalpy of Vaporization: 104.44 kJ/mol
Vapour Pressure: 2.86E-19 mmHg at 25 °C
H-Bond Donor: 6
H-Bond Acceptor: 8
Rotatable Bond Count: 11
Exact Mass: 460.116792
MonoIsotopic Mass: 460.116792
Topological Polar Surface Area: 145
Heavy Atom Count: 30
Complexity: 459
Canonical SMILES: C1=CC(=C(C=C1C2=CC(=C(C=C2)N)OCCCC(=O)O)OCCCC(=O)O)N.Cl.Cl
InChI: InChI=1S/C20H24N2O6.2ClH/c21-15-7-5-13(11-17(15)27-9-1-3-19(23)24)14-6-8-16(22)18(12-14)28-10-2-4-20(25)26;;/h5-8,11-12H,1-4,9-10,21-22H2,(H,23,24)(H,25,26);2*1H
InChIKey of Dicarboxidine hydrochloride (CAS NO.56455-90-4): BABQSVIBQAEEQX-UHFFFAOYSA-N
Storage Temp.: 2-8 °C

Hazard Codes: Xi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 22-26-36 
S22:Do not breathe dust. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany: 3
RTECS: EK7770000
Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits very toxic fumes of NO_x and HCl.

 Dicarboxidine hydrochloride (CAS NO.56455-90-4) is also named as Butyric acid, 4,4'-(4,4'-diamino-m,m'-biphenylenedioxy)di-, dihydrochloride ; Hydrochloric acid dicarboxide ; gamma,gamma'-(4,4'-Diamino-3,3'-biphenylylenedioxy)dibutyric acid dihydrochloride ; gamma,gamma'-3,3'-Benzidine dioxydibutyric acid dihydrochloride ; Butanoic acid, 4,4'-((4,4'-diamino-(1,1'-biphenyl)-3,3'-diyl)bis(oxy))bis-, dihydrochloride .