Home Other Building Blocks 1,1'-Hexamethylenebis(5-(2-ethylhex-1-yl))biguanide dihydrochloride

1,1'-Hexamethylenebis(5-(2-ethylhex-1-yl))biguanide dihydrochloride

CAS No.:
1715-30-6
Catalog Number:
AG00ACX5
Molecular Formula:
C26H58Cl2N10
Molecular Weight:
581.7117
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
≥98%
1 week
United States
$91
- +
25mg
≥98%
1 week
United States
$126
- +
50mg
≥98%
1 week
United States
$169
- +
Product Description
Catalog Number:
AG00ACX5
Chemical Name:
1,1'-Hexamethylenebis(5-(2-ethylhex-1-yl))biguanide dihydrochloride
CAS Number:
1715-30-6
Molecular Formula:
C26H58Cl2N10
Molecular Weight:
581.7117
MDL Number:
MFCD00082369
IUPAC Name:
1-[N'-[6-[[amino-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(2-ethylhexyl)guanidine;dihydrochloride
InChI:
InChI=1S/C26H56N10.2ClH/c1-5-9-15-21(7-3)19-33-25(29)35-23(27)31-17-13-11-12-14-18-32-24(28)36-26(30)34-20-22(8-4)16-10-6-2;;/h21-22H,5-20H2,1-4H3,(H5,27,29,31,33,35)(H5,28,30,32,34,36);2*1H
InChI Key:
BRJJFBHTDVWTCJ-UHFFFAOYSA-N
SMILES:
CCCCC(CN=C(NC(=NCCCCCCN=C(NC(=NCC(CCCC)CC)N)N)N)N)CC.Cl.Cl
EC Number:
216-994-6
Properties
Complexity:
601  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
580.422g/mol
Formal Charge:
0
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
8  
Isotope Atom Count:
0
Molecular Weight:
581.72g/mol
Monoisotopic Mass:
580.422g/mol
Rotatable Bond Count:
23  
Topological Polar Surface Area:
178A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties