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1245649-28-8 | Pyrrolidine, 2-(3,5-dimethylphenyl)-, hydrochloride (1:1), (2S)-
CAS No: 1245649-28-8 Catalog No: AG000MDG MDL No:MFCD17168556
Product Description
Catalog Number:
AG000MDG
Chemical Name:
Pyrrolidine, 2-(3,5-dimethylphenyl)-, hydrochloride (1:1), (2S)-
CAS Number:
1245649-28-8
Molecular Formula:
C12H18ClN
Molecular Weight:
211.7310
MDL Number:
MFCD17168556
IUPAC Name:
(2S)-2-(3,5-dimethylphenyl)pyrrolidine;hydrochloride
InChI:
InChI=1S/C12H17N.ClH/c1-9-6-10(2)8-11(7-9)12-4-3-5-13-12;/h6-8,12-13H,3-5H2,1-2H3;1H/t12-;/m0./s1
InChI Key:
QPEZQRMAVIUWJM-YDALLXLXSA-N
SMILES:
Cc1cc(cc(c1)C)[C@@H]1CCCN1.Cl
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
211.113g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.733g/mol
Monoisotopic Mass:
211.113g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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