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138650-21-2 | 3-Azetidinecarbonitrile, 1-(diphenylmethyl)-3-[(phenylmethyl)amino]-
CAS No: 138650-21-2 Catalog No: AG0018YF MDL No:
Product Description
Catalog Number:
AG0018YF
Chemical Name:
3-Azetidinecarbonitrile, 1-(diphenylmethyl)-3-[(phenylmethyl)amino]-
CAS Number:
138650-21-2
Molecular Formula:
C24H23N3
Molecular Weight:
353.4595
IUPAC Name:
1-benzhydryl-3-(benzylamino)azetidine-3-carbonitrile
InChI:
InChI=1S/C24H23N3/c25-17-24(26-16-20-10-4-1-5-11-20)18-27(19-24)23(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23,26H,16,18-19H2
InChI Key:
WUTXCVALLOTMDE-UHFFFAOYSA-N
SMILES:
N#CC1(NCc2ccccc2)CN(C1)C(c1ccccc1)c1ccccc1
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.189g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
353.469g/mol
Monoisotopic Mass:
353.189g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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