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88875-40-5 | Pyrrolidine, 1-(1-imino-2-phenylethyl)-
CAS No: 88875-40-5 Catalog No: AG0049JX MDL No:
Product Description
Catalog Number:
AG0049JX
Chemical Name:
Pyrrolidine, 1-(1-imino-2-phenylethyl)-
CAS Number:
88875-40-5
Molecular Formula:
C12H16N2
Molecular Weight:
188.2688
IUPAC Name:
2-phenyl-1-pyrrolidin-1-ylethanimine
InChI:
InChI=1S/C12H16N2/c13-12(14-8-4-5-9-14)10-11-6-2-1-3-7-11/h1-3,6-7,13H,4-5,8-10H2
InChI Key:
BBXZHXLKUNPEMI-UHFFFAOYSA-N
SMILES:
N=C(N1CCCC1)Cc1ccccc1
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.274g/mol
Monoisotopic Mass:
188.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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