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116574-09-5 | Propanoic acid, 3-amino-3-imino-, 1-(diphenylmethyl)-3-azetidinyl ester
CAS No: 116574-09-5 Catalog No: AG000CSY MDL No:MFCD14584405
Product Description
Catalog Number:
AG000CSY
Chemical Name:
Propanoic acid, 3-amino-3-imino-, 1-(diphenylmethyl)-3-azetidinyl ester
CAS Number:
116574-09-5
Molecular Formula:
C19H21N3O2
Molecular Weight:
323.3889
MDL Number:
MFCD14584405
IUPAC Name:
(1-benzhydrylazetidin-3-yl) 3-amino-3-iminopropanoate
InChI:
InChI=1S/C19H21N3O2/c20-17(21)11-18(23)24-16-12-22(13-16)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,19H,11-13H2,(H3,20,21)
InChI Key:
QNBUHYPZICYGBI-UHFFFAOYSA-N
SMILES:
O=C(CC(=N)N)OC1CN(C1)C(c1ccccc1)c1ccccc1
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.163g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
323.396g/mol
Monoisotopic Mass:
323.163g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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