AG002D0R

200801-70-3 | Benzenemethanol, 3-[3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-hydroxy-

AG002D0R

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CAS Number	200801-70-3
Catalog Number	AG002D0R(AGN-PC-00KB9Y)
Chemical Name	Benzenemethanol, 3-[3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-hydroxy-
IUPAC Name	2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol
InChI	InChI=1S/C22H31NO2/c1-16(2)23(17(3)4)13-12-20(19-8-6-5-7-9-19)21-14-18(15-24)10-11-22(21)25/h5-11,14,16-17,20,24-25H,12-13,15H2,1-4H3
InChI Key	DUXZAXCGJSBGDW-UHFFFAOYSA-N
MDL Number	MFCD09840742
Molecular Formula	C22H31NO2
Molecular Weight	341.4870
SMILES	OC1=CC=C(CO)C=C1C(C2=CC=CC=C2)CCN(C(C)C)C(C)C
Synonyms	200801-70-3, rac 5-Hydroxymethyl Tolterodine, 2-(3-(diisopropylamino)-1-phenylpropyl)-4-(hydroxymethyl)phenol, rac 5-Hydroxymethyl Tolterodine, 90% by HPLC, 3-[3-[Bis(1-methylethyl)amino]-1-phenylpropyl]-4-hydroxybenzenemethanol, C22H31NO2, 2-[3-(diisopropylamino)-1-phenylpropyl]-4-(hydroxymethyl)phenol, DUXZAXCGJSBGDW-UHFFFAOYSA-N, 5-Hydroxy Tolterodine, SCHEMBL580657, 5-Hydroxymethyl rac-Tolterodine, CTK8F1158, KS-00001EDN, DTXSID80432981, (+)-N,N-Diisopropyl-3-(2-hydroxy-5-hydroxymethylphenyl)-3-phenylpropylamine, HMS3656F09, racemic 5-hydroxymethyl tolterodine, CS-M1035, 3094AH, AKOS022182757, ACM200801703, RT-015349, FT-0669854, J-012995, 2-(3-diisopropylamino-1-phenylpropyl)-4-hydroxymethylphenol, 2-(3-diisopropylamino-1-phenyl-propyl)-4-hydroxymethylphenol, (+/-)-2-(3-diisopropylamino-1-phenyl-propyl)-4-hydroxymethylphenol, (+/-)-2-(3-Diisopropylamino-1-phenylpropyl)-4-hydroxymethyl-phenol, (+/-)-2-(3-Diisopropylamino-1-phenylpropyl)-4-hydroxymethylphenol, (+/-)-2-(3-diisopropylamino-1-phenyl propyl)-4-hydroxy methyl phenol, 2-{3-[Di(propan-2-yl)amino]-1-phenylpropyl}-4-(hydroxymethyl)phenol, Benzenemethanol, 3-[3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-hydroxy-, (R)-5-Hydroxymethyl tolterodine, 5-HMT, rac-5-Hydroxymethyl Tolterodine, CID9927971, CS-O-10476, (S)-2-(3-(diisopropylamino)-1-phenylpropyl)-4-(hydroxymethyl)phenol, 207679-81-0, 2-[3-(dipropan-2-ylamino)-1-phenyl-propyl]-4-(hydroxymethyl)phenol, 260389-90-0,

Complexity	357
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	341.235g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	341.495g/mol
Monoisotopic Mass	341.235g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	43.7A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	4.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H319-H360
Packing Group	Ⅲ
Precautionary statements	P201-P202-P264-P270-P280-P281-P301+P312-P305+P351+P338-P308+P313-P330-P337+P313-P405-P501
UN Code	UN 2811

Certificate of Analysis

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