AG001CV5

1408229-29-7 | 2-Buten-1-ol, 4-[1-(phenylmethyl)-4-piperidinylidene]-

AG001CV5

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CAS Number	1408229-29-7
Catalog Number	AG001CV5(AGN-PC-0WA8ZQ)
Chemical Name	2-Buten-1-ol, 4-[1-(phenylmethyl)-4-piperidinylidene]-
IUPAC Name	(E)-4-(1-benzylpiperidin-4-ylidene)but-2-en-1-ol
InChI	InChI=1S/C16H21NO/c18-13-5-4-6-15-9-11-17(12-10-15)14-16-7-2-1-3-8-16/h1-8,18H,9-14H2/b5-4+
InChI Key	WHNOLOCULOSWCX-SNAWJCMRSA-N
MDL Number	MFCD22574987
Molecular Formula	C16H21NO
Molecular Weight	243.3440
SMILES	OCC=CC=C1CCN(CC2=CC=CC=C2)CC1
Synonyms	4-(1-Benzyl-4-piperidylidene)-2-buten-1-ol, 1408229-29-7, (E)-4-(1-Benzylpiperidin-4-ylidene)but-2-en-1-ol, 4-(1-BENZYLPIPERIDIN-4-YLIDENE)BUT-2-EN-1-OL, 5929AJ, MFCD22574987, ZINC90726650, AKOS022186959, AS-32273, CS-11457, AJ-129164, AX8269055, TC-307475, Z-4629, C16H21NO, 13794-72-4,

Complexity	280
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	243.162g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	243.35g/mol
Monoisotopic Mass	243.162g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	23.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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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