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88960-99-0 | Benzamide, 4-[3-[2-(3-methoxyphenyl)-1-aziridinyl]propyl]-
CAS No: 88960-99-0 Catalog No: AG0046QF MDL No:
Product Description
Catalog Number:
AG0046QF
Chemical Name:
Benzamide, 4-[3-[2-(3-methoxyphenyl)-1-aziridinyl]propyl]-
CAS Number:
88960-99-0
Molecular Formula:
C19H22N2O2
Molecular Weight:
310.3902
IUPAC Name:
4-[3-[2-(3-methoxyphenyl)aziridin-1-yl]propyl]benzamide
InChI:
InChI=1S/C19H22N2O2/c1-23-17-6-2-5-16(12-17)18-13-21(18)11-3-4-14-7-9-15(10-8-14)19(20)22/h2,5-10,12,18H,3-4,11,13H2,1H3,(H2,20,22)
InChI Key:
SMOHAYNPDJXPGI-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C1CN1CCCc1ccc(cc1)C(=O)N
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.168g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.397g/mol
Monoisotopic Mass:
310.168g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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