AG0004BY

101376-25-4 | 3-Morpholinemethanol, 4-(phenylmethyl)-, (3S)-

AG0004BY

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CAS Number	101376-25-4
Catalog Number	AG0004BY(AGN-PC-0NV6VN)
Chemical Name	3-Morpholinemethanol, 4-(phenylmethyl)-, (3S)-
IUPAC Name	[(3S)-4-benzylmorpholin-3-yl]methanol
InChI	InChI=1S/C12H17NO2/c14-9-12-10-15-7-6-13(12)8-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2/t12-/m0/s1
InChI Key	CPLXVETYMUMERG-LBPRGKRZSA-N
MDL Number	MFCD06799482
Molecular Formula	C12H17NO2
Molecular Weight	207.2689
SMILES	C1(=CC=CC=C1)CN1[C@H](COCC1)CO
Synonyms	(s)-(4-benzylmorpholin-3-yl)methanol, 101376-25-4, 3(s)-hydroxymethyl-4-benzylmorpholine, (S)-4-Benzyl-3-hydroxymethylmorpholine, (3S)-4-(phenylmethyl)-3-morpholinemethanol, 3-Morpholinemethanol, 4-(phenylmethyl)-, (3S)-, AK112420, AC1LTT79, SCHEMBL945182, CTK3J9720, KS-00000NBO, DTXSID60363825, MFCD06799482, ZINC22010281, AKOS015994953, DS-5642, FCH3645814, RP26328, [(3S)-4-benzylmorpholin-3-yl]methanol, AJ-80429, OR451055, (S)-(4-Benzyl-morpholin-3-yl)-methanol, AB0000390, AX8080935, DB-016838, RT-015549, ST2402701, FT-0771076, X6275, B-1861, I14-15132, C12H17NO2, (4-benzylmorpholin-3-yl)methanol, ACN-031133, CID1514270, 3-Morpholinemethanol,4-(phenylmethyl)-,(3S)-,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	207.126g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	207.273g/mol
Monoisotopic Mass	207.126g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	32.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

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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