Home Aminos 5-[Bis(2-hydroxyethyl)amino]-1-methyl-1h-benzimidazole-2-butanoic acid ethyl ester

5-[Bis(2-hydroxyethyl)amino]-1-methyl-1h-benzimidazole-2-butanoic acid ethyl ester

CAS No.:
3543-74-6
Catalog Number:
AG0037LL
Molecular Formula:
C18H27N3O4
Molecular Weight:
349.4247
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25mg
98%(HPLC)
In Stock USA
United States
$87
- +
100mg
98%(HPLC)
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG0037LL
Chemical Name:
5-[Bis(2-hydroxyethyl)amino]-1-methyl-1h-benzimidazole-2-butanoic acid ethyl ester
CAS Number:
3543-74-6
Molecular Formula:
C18H27N3O4
Molecular Weight:
349.4247
MDL Number:
MFCD09840918
IUPAC Name:
ethyl 4-[5-[bis(2-hydroxyethyl)amino]-1-methylbenzimidazol-2-yl]butanoate
InChI:
InChI=1S/C18H27N3O4/c1-3-25-18(24)6-4-5-17-19-15-13-14(7-8-16(15)20(17)2)21(9-11-22)10-12-23/h7-8,13,22-23H,3-6,9-12H2,1-2H3
InChI Key:
SJYOJVBTSZGDQH-UHFFFAOYSA-N
SMILES:
OCCN(c1ccc2c(c1)nc(n2C)CCCC(=O)OCC)CCO
Properties
Complexity:
404  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.2g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
349.431g/mol
Monoisotopic Mass:
349.2g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
87.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties