AG003KT2

4541-14-4 | 4-Benzyloxy-1-Butanol

AG003KT2

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CAS Number	4541-14-4
Catalog Number	AG003KT2(AGN-PC-0JSXGI)
Chemical Name	4-Benzyloxy-1-Butanol
IUPAC Name	4-phenylmethoxybutan-1-ol
InChI	InChI=1S/C11H16O2/c12-8-4-5-9-13-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2
InChI Key	TYROJDFHUXSBHC-UHFFFAOYSA-N
MDL Number	MFCD00155211
Molecular Formula	C11H16O2
Molecular Weight	180.2435
SMILES	OCCCCOCC1=CC=CC=C1
Synonyms	4-(Benzyloxy)butan-1-ol, 4541-14-4, 4-Benzyloxy-1-butanol, 1-Butanol, 4-(phenylmethoxy)-, 4-(Benzyloxy)-1-butanol, 4-(Benzyloxy);butan-1-ol, 4-Benzyloxy-1-butanol, 97%, TYROJDFHUXSBHC-UHFFFAOYSA-N, 1-Butanol, 4-(benzyloxy)-, 4-benyloxybutanol, 4-benzyloxybutanol, 4-benzyloxybutan-1-ol, 4-benzyloxybutyl alcohol, ACMC-1AGSB, 4-benzyloxy-butan-1-ol, AC1LBPW6, 4-Benzyl-Oxy-1-Butanol, 4-phenylmethoxybutan-1-ol, AC1Q7CS2, SCHEMBL96049, 4-(Benzyloxy)-1-butanol #, 4-(phenylmethoxy)butane-1-ol, 1-Butanol,4-(phenylmethoxy)-, CTK4I8785, DTXSID70340167, ZINC2530756, 6252AB, ANW-60685, MFCD00155211, Tetramethylene glycol monobenzyl ether, AKOS015891297, AJ-38509, DS-17446, SC-17196, TC-149430, FT-0660764, 541B144, I01-8803, C11H16O2, CID562212,

Complexity	109
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.115g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	180.247g/mol
Monoisotopic Mass	180.115g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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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