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820980-35-6 | 3-Pyrrolidinamine, N-[(2-chlorophenyl)methyl]-N-propyl-, (3S)-
CAS No: 820980-35-6 Catalog No: AG0051V0 MDL No:
Product Description
Catalog Number:
AG0051V0
Chemical Name:
3-Pyrrolidinamine, N-[(2-chlorophenyl)methyl]-N-propyl-, (3S)-
CAS Number:
820980-35-6
Molecular Formula:
C14H21ClN2
Molecular Weight:
252.7829
IUPAC Name:
(3S)-N-[(2-chlorophenyl)methyl]-N-propylpyrrolidin-3-amine
InChI:
InChI=1S/C14H21ClN2/c1-2-9-17(13-7-8-16-10-13)11-12-5-3-4-6-14(12)15/h3-6,13,16H,2,7-11H2,1H3/t13-/m0/s1
InChI Key:
YKTCSRXUBFZKMG-ZDUSSCGKSA-N
SMILES:
CCCN([C@@H]1CNCC1)Cc1ccccc1Cl
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
252.139g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.786g/mol
Monoisotopic Mass:
252.139g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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