200,000+ products from a single source!
sales@angenechem.com
101976-00-5 | 1-Piperazinebutanoic acid, 4-[2-(diphenylmethoxy)ethyl]-, hydrochloride (1:2)
CAS No: 101976-00-5 Catalog No: AG00064F MDL No:
Product Description
Catalog Number:
AG00064F
Chemical Name:
1-Piperazinebutanoic acid, 4-[2-(diphenylmethoxy)ethyl]-, hydrochloride (1:2)
CAS Number:
101976-00-5
Molecular Formula:
C23H32Cl2N2O3
Molecular Weight:
455.4178
IUPAC Name:
4-[4-(2-benzhydryloxyethyl)piperazin-1-yl]butanoic acid;dihydrochloride
InChI:
InChI=1S/C23H30N2O3.2ClH/c26-22(27)12-7-13-24-14-16-25(17-15-24)18-19-28-23(20-8-3-1-4-9-20)21-10-5-2-6-11-21;;/h1-6,8-11,23H,7,12-19H2,(H,26,27);2*1H
InChI Key:
CROZGEVYMQAZOG-UHFFFAOYSA-N
SMILES:
OC(=O)CCCN1CCN(CC1)CCOC(c1ccccc1)c1ccccc1.Cl.Cl
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
454.179g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
455.42g/mol
Monoisotopic Mass:
454.179g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.