AG000IB3

119193-19-0 | Phenol, 3-​[(3R,​4R)​-​3,​4-​dimethyl-​4-​piperidinyl]​-

AG000IB3

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CAS Number	119193-19-0
Catalog Number	AG000IB3(AGN-PC-0PCZDK)
Chemical Name	Phenol, 3-​[(3R,​4R)​-​3,​4-​dimethyl-​4-​piperidinyl]​-
EC Number	927-919-8
IUPAC Name	3-[(3R,4R)-3,4-dimethylpiperidin-4-yl]phenol
InChI	InChI=1S/C13H19NO/c1-10-9-14-7-6-13(10,2)11-4-3-5-12(15)8-11/h3-5,8,10,14-15H,6-7,9H2,1-2H3/t10-,13+/m0/s1
InChI Key	HXZDAOSDNCHKFE-GXFFZTMASA-N
MDL Number	MFCD06659960
Molecular Formula	C13H19NO
Molecular Weight	205.2961
SMILES	C[C@@]1([C@@H](C)CNCC1)c1cc(O)ccc1
Synonyms	119193-19-0, (3R,4R)-3,4-DIMETHYL-4-(3-HYDROXYPHENYL)PIPERIDINE, 3-((3R,4R)-3,4-diMethylpiperidin-4-yl)phenol, (+)-(3R,4R)-3,4-DIMETHYL-4-(3-HYDROXYPHENYL)PIPERIDINE, 3-[(3R,4R)-3,4-dimethylpiperidin-4-yl]phenol, (3r,4r)-3-(3,4-dimethyl-4-piperidinyl)phenol, PHENOL, 3-[(3R,4R)-3,4-DIMETHYL-4-PIPERIDINYL]-, 3-[(3R,4R)-3,4-Dimethyl-4-piperidinyl]phenol, PubChem23477, Phenol,3-[(3R,4R)-3,4-dimethyl-4-piperidinyl]-, 3-[(3R,4R)-3,4-dimethyl-4-piperidyl]phenol, KSC511C2F, SCHEMBL1477254, CTK4B1122, DTXSID30453444, HXZDAOSDNCHKFE-GXFFZTMASA-N, 145678-87-1, ACT07654, BCP12721, CS-M1917, ZINC3880950, ZX-AT018628, AN-388, ANW-48618, CD0016, MFCD06659960, MFCD06659961, OR9962, RW3960, AKOS015901845, AKOS016015268, ACN-040735, AS06814, CM11115, AJ-46606, AK-44936, AS-37611, BR-44936, SC-49959, AX8042983, DB-061533, LY-272922, RT-005503, ST2414291, AM20120622, FT-0667547, X9368, S-6873, 193D190, I14-14004, (+)-(3R,4S)-3,4-Dimethyl-4-(3-hydroxyphenyl)piperidine, (3R,4R)-3-(3,4-DIMETHYL-PIPERIDIN-4-YL)-PHENOL, 3-[(3R,4R)-3,4-DIMETHYL-4-PIPERIDINYL]-PHENOL, (+)-(3R,4R)-3,4-Dimethyl-4-(3-hydroxyphenyl) piperidine, (+)-(3R,4R)-3,4-DIMETHYL-4-(3-HYDROXYPHENYL)PIPERI, (+)-3-[(3R,4R)-3,4-DIMETHYLPIPERIDIN-4-YL]PHENOL, 3-?[(3R,?4R)?-?3,?4-?Dimethyl-?4-?piperidinyl]?phenol, Alvimopan intermediates A, C13H19NO, CB12014, CID11052767,

Complexity	219
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	205.147g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	205.301g/mol
Monoisotopic Mass	205.147g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	32.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

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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