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119161-51-2 | Benzeneoctanamine, N-(phenylmethyl)-
CAS No: 119161-51-2 Catalog No: AG000IA3 MDL No:
Product Description
Catalog Number:
AG000IA3
Chemical Name:
Benzeneoctanamine, N-(phenylmethyl)-
CAS Number:
119161-51-2
Molecular Formula:
C21H29N
Molecular Weight:
295.4617
IUPAC Name:
N-benzyl-8-phenyloctan-1-amine
InChI:
InChI=1S/C21H29N/c1(3-7-13-20-14-8-5-9-15-20)2-4-12-18-22-19-21-16-10-6-11-17-21/h5-6,8-11,14-17,22H,1-4,7,12-13,18-19H2
InChI Key:
HKMGZCKGWBFZKW-UHFFFAOYSA-N
SMILES:
C(CCCCc1ccccc1)CCCNCc1ccccc1
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.23g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.47g/mol
Monoisotopic Mass:
295.23g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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