AG003AYZ

51096-49-2 | (S)-(+)-2-Benzylamino-1-phenylethanol

AG003AYZ

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CAS Number	51096-49-2
Catalog Number	AG003AYZ(AGN-PC-0S9LM2)
Chemical Name	(S)-(+)-2-Benzylamino-1-phenylethanol
IUPAC Name	(1S)-2-(benzylamino)-1-phenylethanol
InChI	InChI=1S/C15H17NO/c17-15(14-9-5-2-6-10-14)12-16-11-13-7-3-1-4-8-13/h1-10,15-17H,11-12H2/t15-/m1/s1
InChI Key	XAOCLQUZOIZSHV-OAHLLOKOSA-N
MDL Number	MFCD03427123
Molecular Formula	C15H17NO
Molecular Weight	227.3016
SMILES	O[C@@H](C1=CC=CC=C1)CNCC2=CC=CC=C2
Synonyms	51096-49-2, S-(-)-2-Benzylamino-1-phenylethanol, (S)-(+)-2-Benzylamino-1-phenylethanol, (S)-2-(Benzylamino)-1-phenylethanol, (1S)-2-(benzylamino)-1-phenylethan-1-ol, (1S)-2-(benzylamino)-1-phenylethanol, S-(+)-2-Benzylamino-1-phenylethanol, PubChem13839, AC1OCKQ0, KSC269A0R, SCHEMBL2289990, CTK1G9008, KS-00000OLN, DTXSID80426103, ACT04311, FD1196, MFCD03427123, ZINC19943035, (S)-1-Phenyl-2-(benzylamino)ethanol, AKOS015855398, AC-5682, CB-2153, DS-1790, RTC-071111, (1S)-2-(benzylamino)-1-phenyl-ethanol, AJ-75754, AN-10744, CJ-16512, (S)-2-(benzylamino)-1-phenylethan-1-ol, AB0025201, TC-071111, FT-0655577, ST24031607, W6618, (1S)-1-phenyl-2-[(phenylmethyl)amino]ethanol, F10105, M-7722, (S)-(+)-2-Benzylamino-1-phenylethanol, 97%, 096B492, A828436, C15H17NO, NSC23646, CID6922304, (R)-(-)-2-Benzylamino-1-phenylethanol, - -2-BENZYLAMINO-1-PHENYLETHANOL, (S)-(-)-2-Benzylamino-1-phenylethanol, 98% - 1G 1g, 107171-75-5,

Complexity	195
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	227.131g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	227.307g/mol
Monoisotopic Mass	227.131g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	32.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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