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132723-93-4 | 1,4,8,11-Tetraazacyclotetradecane, 1-(phenylmethyl)-
CAS No: 132723-93-4 Catalog No: AG00112B MDL No:MFCD09263311
Product Description
Catalog Number:
AG00112B
Chemical Name:
1,4,8,11-Tetraazacyclotetradecane, 1-(phenylmethyl)-
CAS Number:
132723-93-4
Molecular Formula:
C17H30N4
Molecular Weight:
290.4469
MDL Number:
MFCD09263311
IUPAC Name:
1-benzyl-1,4,8,11-tetrazacyclotetradecane
InChI:
InChI=1S/C17H30N4/c1-2-6-17(7-3-1)16-21-14-5-10-19-12-11-18-8-4-9-20-13-15-21/h1-3,6-7,18-20H,4-5,8-16H2
InChI Key:
WNEKVKFZHNGHEH-UHFFFAOYSA-N
SMILES:
C1CNCCN(CCCNCCNC1)Cc1ccccc1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.247g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
290.455g/mol
Monoisotopic Mass:
290.247g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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