200,000+ products from a single source!
sales@angenechem.com
100557-07-1 | Ethanol, 2-[hexyl[5-(1-piperidinyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-
CAS No: 100557-07-1 Catalog No: AG0002BW MDL No:
Product Description
Catalog Number:
AG0002BW
Chemical Name:
Ethanol, 2-[hexyl[5-(1-piperidinyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-
CAS Number:
100557-07-1
Molecular Formula:
C18H30N6O
Molecular Weight:
346.4704
IUPAC Name:
2-[hexyl-(5-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol
InChI:
InChI=1S/C18H30N6O/c1-2-3-4-6-11-23(12-13-25)17-14-16(22-9-7-5-8-10-22)21-18-19-15-20-24(17)18/h14-15,25H,2-13H2,1H3
InChI Key:
CAUSJFJJYRCTPJ-UHFFFAOYSA-N
SMILES:
CCCCCCN(c1cc(nc2n1ncn2)N1CCCCC1)CCO
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.248g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
346.479g/mol
Monoisotopic Mass:
346.248g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.