AG002OUG

246232-73-5 | 2-(N,N-Dibenzyl)-amino-1,3-propanediol

AG002OUG

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CAS Number	246232-73-5
Catalog Number	AG002OUG(AGN-PC-0NEE9L)
Chemical Name	2-(N,N-Dibenzyl)-amino-1,3-propanediol
IUPAC Name	2-(dibenzylamino)propane-1,3-diol
InChI	InChI=1S/C17H21NO2/c19-13-17(14-20)18(11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h1-10,17,19-20H,11-14H2
InChI Key	GFYRDQXZVIHUKQ-UHFFFAOYSA-N
MDL Number	MFCD11656822
Molecular Formula	C17H21NO2
Molecular Weight	271.3541
SMILES	OCC(N(CC1=CC=CC=C1)CC2=CC=CC=C2)CO
Synonyms	2-(dibenzylamino)propane-1,3-diol, 246232-73-5, 2-(N,N-Dibenzyl)amino-1,3-propanediol, 2-(N,N-DIBENZYL)-AMINO-1,3-PROPANEDIOL, 1,3-Propanediol, 2-[bis(phenylmethyl)amino]-, 2-(Dibenzylamino)-1,3-propanediol, AK-82860, SCHEMBL1236268, DTXSID10451842, GFYRDQXZVIHUKQ-UHFFFAOYSA-N, 2-dibenzylamino-propane-1,3-diol, MFCD11656822, ZINC42684296, AKOS022173740, DS-3021, FCH2839714, TRA0025377, KS-0000095O, ACM246232735, SY004948, AJ-104509, AX8268510, SL-000134, ST2409384, TC-306889, FT-0760949, Z4485, M-8392, MFCD11656822 (97+%), C17H21NO2, CID11011093, 102-82-9, 95832-60-3,

Complexity	223
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	271.157g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	271.36g/mol
Monoisotopic Mass	271.157g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	43.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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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