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13636-18-5 | Benzenepropanamine, γ-phenyl-N-(1-phenylethyl)-, hydrochloride (1:1)
CAS No: 13636-18-5 Catalog No: AG0011T3 MDL No:
Product Description
Catalog Number:
AG0011T3
Chemical Name:
Benzenepropanamine, γ-phenyl-N-(1-phenylethyl)-, hydrochloride (1:1)
CAS Number:
13636-18-5
Molecular Formula:
C23H26ClN
Molecular Weight:
351.9122
IUPAC Name:
3,3-diphenyl-N-(1-phenylethyl)propan-1-amine;hydrochloride
InChI:
InChI=1S/C23H25N.ClH/c1-19(20-11-5-2-6-12-20)24-18-17-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22;/h2-16,19,23-24H,17-18H2,1H3;1H
InChI Key:
NJXWZWXCHBNOOG-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1)NCCC(c1ccccc1)c1ccccc1.Cl
EC Number:
237-121-5
NSC Number:
757826
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.175g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
351.918g/mol
Monoisotopic Mass:
351.175g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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