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233772-40-2 | Benzeneethanamine, α-(2-methylpropyl)-β-phenyl-, (αS)-
CAS No: 233772-40-2 Catalog No: AG002N0S MDL No:
Product Description
Catalog Number:
AG002N0S
Chemical Name:
Benzeneethanamine, α-(2-methylpropyl)-β-phenyl-, (αS)-
CAS Number:
233772-40-2
Molecular Formula:
C18H23N
Molecular Weight:
253.3819
IUPAC Name:
(2S)-4-methyl-1,1-diphenylpentan-2-amine
InChI:
InChI=1S/C18H23N/c1-14(2)13-17(19)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17-18H,13,19H2,1-2H3/t17-/m0/s1
InChI Key:
ICJINWKVCCYYQW-KRWDZBQOSA-N
SMILES:
N[C@H](C(c1ccccc1)c1ccccc1)CC(C)C
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
253.183g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.389g/mol
Monoisotopic Mass:
253.183g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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