AG001JOZ

14451-86-6 | Tricyclo[3.3.1.13,7]decan-2-ol, 2-butyl-

AG001JOZ

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CAS Number	14451-86-6
Catalog Number	AG001JOZ(AGN-PC-0NJO09)
Chemical Name	Tricyclo[3.3.1.13,7]decan-2-ol, 2-butyl-
IUPAC Name	2-butyladamantan-2-ol
InChI	InChI=1S/C14H24O/c1-2-3-4-14(15)12-6-10-5-11(8-12)9-13(14)7-10/h10-13,15H,2-9H2,1H3
InChI Key	PXRAOOXXPGRCJZ-UHFFFAOYSA-N
MDL Number	MFCD07783689
Molecular Formula	C14H24O
Molecular Weight	208.3398
SMILES	OC1(CCCC)C2CC3CC(C2)CC1C3
Synonyms	2-Butyl-2-adamantanol, 2-butyladamantan-2-ol, 14451-86-6, PubChem8783, ACMC-1BOZW, 2-Butyladamantane-2-ol, 2-n-butyl-2-adamantanol, 2-Butyl-2-hydroxyadamantane, SCHEMBL2803563, CTK4C4109, DTXSID60504857, PXRAOOXXPGRCJZ-UHFFFAOYSA-N, ANW-20863, MFCD07783689, ZINC39256161, AKOS015839522, CB-1406, TRA0007437, AJ-99446, AX8072388, TR-005638, B2839, 2-Butyltricyclo[3.3.1.1~3,7~]decan-2-ol, Tricyclo[3.3.1.13,7]decan-2-ol,2-butyl-, A808225, I14-9356,

Complexity	218
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.183g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	208.345g/mol
Monoisotopic Mass	208.183g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

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

Lot Number