- Product Details
Keywords
- Urea,1,1'-m-phenylenebis[3-[p-(N,N'-dimethylamidino)phenyl]-,dihydrochloride (7CI,8CI)
- 1-[4-(N,N'-dimethylcarbamimidoyl)phenyl]-3-[3-[[4-(N,N'-dimethylcarbamimidoyl)phenyl]carbamoylamino]phenyl]urea,hydrochloride
- 5262-16-8
Quick Details
- ProName: 1-[4-(N,N'-dimethylcarbamimidoyl)pheny...
- CasNo: 5262-16-8
- Molecular Formula: C26H31ClN8O2
- Appearance: Solid
- Application: Organic Chemicals
- DeliveryTime: as client's demand quantity
- PackAge: as requested
- Port: SHANGHAI
- ProductionCapacity: 10 Kilogram/Month
- Purity: 99%
- Storage: room temperature
- Transportation: as requested
- LimitNum: 1 Gram
- Heavy metal: N/A
- Grade: Industrial Grade
Superiority
Details
Identification and Related Records
【Name】
Urea,1,1'-m-phenylenebis[3-[p-(N,N'-dimethylamidino)phenyl]-,dihydrochloride (7CI,8CI)
【CAS Registry number】
5262-16-8
【Molecular Formula】
C26H30 N8 O2 . 2 Cl H (Products with the same molecular formula)
【Molecular Weight】
486.5688
【Inchi】
InChI=1/C26H30N8O2/c1-27-23(28-2)17-8-12-19(13-9-17)31-25(35)33-21-6-5-7-22(16-21)34-26(36)32-20-14-10-18(11-15-20)24(29-3)30-4/h5-16H,1-4H3,(H,27,28)(H,29,30)(H2,31,33,35)(H2,32,34,36)
【Canonical SMILES】
CNC(=NC)C1=CC=C(C=C1)NC(=O)NC2=CC(=CC=C2)NC(=O)NC3=CC=C(C=C3)C(=NC)NC.[Cl-]
【Isomers smiles】
CNC(=NC)C1=CC=C(C=C1)NC(=O)NC2=CC(=CC=C2)NC(=O)NC3=CC=C(C=C3)C(=NC)NC.
[Cl-]
Chemical and Physical Properties
【Density】
1.23g/cm3
【Boiling Point】
580.1°Cat760mmHg
【Refractive Index】
1.63
【Flash Point】
304.7°C
【Computed Properties】
Molecular Weight:522.0218 [g/mol]
Molecular Formula:C26H30ClN8O2-
H-Bond Donor:6
H-Bond Acceptor:5
Rotatable Bond Count:8
Tautomer Count:15
Exact Mass:521.218025
MonoIsotopic Mass:521.218025
Topological Polar Surface Area:131
Heavy Atom Count:37
Formal Charge:-1
Complexity:708
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2