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820980-54-9 | 3-Pyrrolidinamine, N-cyclohexyl-N-[[2-(methylthio)phenyl]methyl]-, (3S)-
CAS No: 820980-54-9 Catalog No: AG0051UZ MDL No:
Product Description
Catalog Number:
AG0051UZ
Chemical Name:
3-Pyrrolidinamine, N-cyclohexyl-N-[[2-(methylthio)phenyl]methyl]-, (3S)-
CAS Number:
820980-54-9
Molecular Formula:
C18H28N2S
Molecular Weight:
304.4933
IUPAC Name:
(3S)-N-cyclohexyl-N-[(2-methylsulfanylphenyl)methyl]pyrrolidin-3-amine
InChI:
InChI=1S/C18H28N2S/c1-21-18-10-6-5-7-15(18)14-20(17-11-12-19-13-17)16-8-3-2-4-9-16/h5-7,10,16-17,19H,2-4,8-9,11-14H2,1H3/t17-/m0/s1
InChI Key:
TZISNIXTKRHPTD-KRWDZBQOSA-N
SMILES:
CSc1ccccc1CN([C@H]1CCNC1)C1CCCCC1
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
304.197g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.496g/mol
Monoisotopic Mass:
304.197g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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