AG000MDG

1245649-28-8 | Pyrrolidine, 2-(3,5-dimethylphenyl)-, hydrochloride (1:1), (2S)-

AG000MDG

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CAS Number	1245649-28-8
Catalog Number	AG000MDG(AGN-PC-0WA2UF)
Chemical Name	Pyrrolidine, 2-(3,5-dimethylphenyl)-, hydrochloride (1:1), (2S)-
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
MDL Number	MFCD17168556
Molecular Formula	C12H18ClN
Molecular Weight	211.7310
SMILES	Cl.CC=1C=C(C=C(C1)C)[C@H]1NCCC1
Synonyms	1245649-28-8, (S)-2-(3,5-dimethylphenyl)pyrrolidine hydrochloride, (S)-2-(3,5-DIMETHYLPHENYL)PYRROLIDINE HCL, Pyrrolidine, 2-(3,5-dimethylphenyl)-, hydrochloride (1:1), (2S)-, CTK4B3995, KS-00000HRV, DTXSID60721406, 4644AA, ANW-52654, MFCD17168556, AKOS015933949, AKOS015999815, SB18117, DS-15758, (S)-2-(3,5-Dimethylphenyl)pyrrolidineHCl, AX8160553, TC-141399, AM20020325, FT-0771947, (2S)-2-(3,5-DIMETHYLPHENYL)PYRROLIDINE HYDROCHLORIDE, (2S)-2-(3,5-Dimethylphenyl)pyrrolidine--hydrogen chloride (1/1), C12H18ClN, QPEZQRMAVIUWJM-YDALLXLXSA-N, (S)-2-(3,5-Dimethylphenyl)pyrrolidinehydrochloride,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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