AG00GSOS

917572-28-2 | (S)-4-Benzyl-3-chloromethyl-morpholine

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CAS Number	917572-28-2
Catalog Number	AG00GSOS(AGN-PC-0OMXTQ)
Chemical Name	(S)-4-Benzyl-3-chloromethyl-morpholine
IUPAC Name	(3S)-4-benzyl-3-(chloromethyl)morpholine
InChI	InChI=1S/C12H16ClNO/c13-8-12-10-15-7-6-14(12)9-11-4-2-1-3-5-11/h1-5,12H,6-10H2/t12-/m1/s1
InChI Key	MSRCVCNYPADFER-GFCCVEGCSA-N
MDL Number	MFCD10687133
Molecular Formula	C12H16ClNO
Molecular Weight	225.7145
SMILES	ClC[C@H]1N(CC2=CC=CC=C2)CCOC1
Synonyms	917572-28-2, (S)-4-Benzyl-3-(chloromethyl)morpholine, (s)-4-benzyl-3-chloromethyl-morpholine, (3S)-4-benzyl-3-(chloromethyl)morpholine, (S)-4-Benzyl-3-chloromethylmorpholine, Morpholine, 3-(chloromethyl)-4-(phenylmethyl)-, (3S)-, AK109146, SCHEMBL2459174, CTK3I0327, KS-00000LOV, DTXSID10650631, MSRCVCNYPADFER-GFCCVEGCSA-N, 5477AC, ANW-73027, MFCD10687133, ZINC16696990, DS-4161, FCH3539220, AJ-69216, AX8049018, DB-016836, RT-024065, ST2402828, CS-0060535, FT-0770539, S14-2203, C12H16ClNO, S-4-benzyl-3-(chloromethyl)morpholine,

Complexity	183
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	225.092g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	225.716g/mol
Monoisotopic Mass	225.092g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	12.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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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