AG00G2X4

79601-21-1 | 3-(3-methoxyphenyl)-piperidine

AG00G2X4

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CAS Number	79601-21-1
Catalog Number	AG00G2X4(AGN-PC-0N8ABL)
Chemical Name	3-(3-methoxyphenyl)-piperidine
IUPAC Name	3-(3-methoxyphenyl)piperidine
InChI	InChI=1S/C12H17NO/c1-14-12-6-2-4-10(8-12)11-5-3-7-13-9-11/h2,4,6,8,11,13H,3,5,7,9H2,1H3
InChI Key	LXCUAFVVTHZALS-UHFFFAOYSA-N
MDL Number	MFCD06656698
Molecular Formula	C12H17NO
Molecular Weight	191.2695
SMILES	COC1=CC(C2CNCCC2)=CC=C1
Synonyms	3-(3-methoxyphenyl)piperidine, 79601-21-1, 3-(3-Methoxyphenyl)-piperidine, 3-(3-METHOXY-PHENYL)-PIPERIDINE, Piperidine,3-(3-methoxyphenyl)-, (3S)-, ACMC-20epl4, SCHEMBL567956, CHEMBL284072, 3-(3-methoxyphenyl) piperidine, DTXSID00454246, LXCUAFVVTHZALS-UHFFFAOYSA-N, Piperidine, 3-(3-methoxyphenyl)-, ANW-75151, MFCD06656698, AKOS005264071, AB25544, CM-1807, AS-38080, SC-24882, AB0076724, DB-031674, TC-060956, A9917, BB 0251952, FT-0691899, 3-(3-methoxy-phenyl)-piperidine, AldrichCPR, X-2177, Q-102133, 3- -PIPERIDINE, (S)-3-(3-Methoxyphenyl)piperidine, CID11074230, 3-(3-Methoxyphenyl)piperidine hydrochloride, 88784-37-6,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	191.131g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	191.274g/mol
Monoisotopic Mass	191.131g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	21.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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