AG0056K0

82769-75-3 | (S)-3-(Dimethylamino)-3-phenylpropan-1-ol

AG0056K0

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CAS Number	82769-75-3
Catalog Number	AG0056K0(AGN-PC-0UN7WW)
Chemical Name	(S)-3-(Dimethylamino)-3-phenylpropan-1-ol
IUPAC Name	(3S)-3-(dimethylamino)-3-phenylpropan-1-ol
InChI	InChI=1S/C11H17NO/c1-12(2)11(8-9-13)10-6-4-3-5-7-10/h3-7,11,13H,8-9H2,1-2H3/t11-/m0/s1
InChI Key	LPTVKPNWVGBWSU-NSHDSACASA-N
MDL Number	MFCD09955476
Molecular Formula	C11H17NO
Molecular Weight	179.2588
SMILES	OCC[C@H](N(C)C)C1=CC=CC=C1
Synonyms	82769-75-3, (S)-3-(dimethylamino)-3-phenylpropan-1-ol, (S)-3-DIMETHYLAMINO-3-PHENYLPROPANOL, (S)-3-(dimethyl amino)-3-phenylpropan-1-ol, (3S)-3-(Dimethylamino)-3-phenylpropan-1-ol, AK-45138, PubChem20295, KSC496M2T, SCHEMBL9995387, CTK3J6629, DTXSID20501185, ACT07242, KS-000011EV, ANW-46660, FD1319, MFCD09955476, ZINC21981754, AKOS005146102, AC-23826, AJ-78903, DS-13482, AX8048927, DB-011664, RT-003137, ST2414617, (S)-3-(Dimethylamino)-3-phenyl-1-propanol, FT-0687343, W8638, 769D753, I01-8984, C11H17NO, -3-Dimethylamino-3-phenylpropanol, ACN-039896, (S)-3-Dimethylamino-3-phenylpropanol, 98% - 1G 1g,

Complexity	130
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	179.131g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	179.263g/mol
Monoisotopic Mass	179.131g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	23.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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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