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88961-09-5 | Aziridine, 1-[3-(4-methylphenyl)propyl]-2-phenyl-, (S)-
CAS No: 88961-09-5 Catalog No: AG0046JD MDL No:
Product Description
Catalog Number:
AG0046JD
Chemical Name:
Aziridine, 1-[3-(4-methylphenyl)propyl]-2-phenyl-, (S)-
CAS Number:
88961-09-5
Molecular Formula:
C18H21N
Molecular Weight:
251.3660
IUPAC Name:
1-[3-(4-methylphenyl)propyl]-2-phenylaziridine
InChI:
InChI=1S/C18H21N/c1-15-9-11-16(12-10-15)6-5-13-19-14-18(19)17-7-3-2-4-8-17/h2-4,7-12,18H,5-6,13-14H2,1H3
InChI Key:
FSXJCKMHLBNYFE-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)CCCN1CC1c1ccccc1
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.167g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.373g/mol
Monoisotopic Mass:
251.167g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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