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79614-14-5 | pentan-3-ylidene(2-phenylethyl)amine
CAS No: 79614-14-5 Catalog No: AG01FDO1 MDL No:
Product Description
Catalog Number:
AG01FDO1
Chemical Name:
pentan-3-ylidene(2-phenylethyl)amine
CAS Number:
79614-14-5
Molecular Formula:
C13H19N
Molecular Weight:
189.2967
IUPAC Name:
N-(2-phenylethyl)pentan-3-imine
InChI:
InChI=1S/C13H19N/c1-3-13(4-2)14-11-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChI Key:
RGPPNSZFJRMVFW-UHFFFAOYSA-N
SMILES:
CCC(=NCCc1ccccc1)CC
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.152g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.302g/mol
Monoisotopic Mass:
189.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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