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127865-14-9 | 1H-Benzotriazole, 1-[1-(4-morpholinyl)ethyl]-
CAS No: 127865-14-9 Catalog No: AG000XHS MDL No:
Product Description
Catalog Number:
AG000XHS
Chemical Name:
1H-Benzotriazole, 1-[1-(4-morpholinyl)ethyl]-
CAS Number:
127865-14-9
Molecular Formula:
C12H16N4O
Molecular Weight:
232.2816
IUPAC Name:
4-[2-(benzotriazol-1-yl)ethyl]morpholine
InChI:
InChI=1S/C12H16N4O/c1-2-4-12-11(3-1)13-14-16(12)6-5-15-7-9-17-10-8-15/h1-4H,5-10H2
InChI Key:
ZWPLZUXFENZGRI-UHFFFAOYSA-N
SMILES:
CC(n1nnc2c1cccc2)N1CCOCC1
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.132g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.287g/mol
Monoisotopic Mass:
232.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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