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116508-54-4 | 1-Pyrrolidineethanamine, N-methyl-α-(phenylmethyl)-, (S)- (9CI)
CAS No: 116508-54-4 Catalog No: AG000CN2 MDL No:
Product Description
Catalog Number:
AG000CN2
Chemical Name:
1-Pyrrolidineethanamine, N-methyl-α-(phenylmethyl)-, (S)- (9CI)
CAS Number:
116508-54-4
Molecular Formula:
C14H22N2
Molecular Weight:
218.3379
IUPAC Name:
(2S)-N-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-2-amine
InChI:
InChI=1S/C14H22N2/c1-15-14(12-16-9-5-6-10-16)11-13-7-3-2-4-8-13/h2-4,7-8,14-15H,5-6,9-12H2,1H3/t14-/m0/s1
InChI Key:
WDVNZOBYHPYZIT-AWEZNQCLSA-N
SMILES:
CN[C@@H](Cc1ccccc1)CN1CCCC1
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
218.178g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.344g/mol
Monoisotopic Mass:
218.178g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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