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114636-30-5 | Acetamide, N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]-
CAS No: 114636-30-5 Catalog No: AG000EVW MDL No:
Product Description
Catalog Number:
AG000EVW
Chemical Name:
Acetamide, N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]-
CAS Number:
114636-30-5
Molecular Formula:
C13H18N2O
Molecular Weight:
218.2948
IUPAC Name:
N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
InChI:
InChI=1S/C13H18N2O/c1-11(16)14-13-7-8-15(10-13)9-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,14,16)/t13-/m0/s1
InChI Key:
CMSWETNAAPYFSH-ZDUSSCGKSA-N
SMILES:
CC(=O)N[C@H]1CCN(C1)Cc1ccccc1
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
218.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.3g/mol
Monoisotopic Mass:
218.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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