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1021393-00-9 | 3-Oxetanecarbonitrile, 3-[bis(phenylmethyl)amino]-
CAS No: 1021393-00-9 Catalog No: AG0006PG MDL No:MFCD18432775
Product Description
Catalog Number:
AG0006PG
Chemical Name:
3-Oxetanecarbonitrile, 3-[bis(phenylmethyl)amino]-
CAS Number:
1021393-00-9
Molecular Formula:
C18H18N2O
Molecular Weight:
278.3483
MDL Number:
MFCD18432775
IUPAC Name:
3-(dibenzylamino)oxetane-3-carbonitrile
InChI:
InChI=1S/C18H18N2O/c19-13-18(14-21-15-18)20(11-16-7-3-1-4-8-16)12-17-9-5-2-6-10-17/h1-10H,11-12,14-15H2
InChI Key:
ACAWKDAFHOUZKV-UHFFFAOYSA-N
SMILES:
N#CC1(COC1)N(Cc1ccccc1)Cc1ccccc1
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.142g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.355g/mol
Monoisotopic Mass:
278.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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