AG00270D

17945-79-8 | 2-Pyridinebutanol

AG00270D

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CAS Number	17945-79-8
Catalog Number	AG00270D(AGN-PC-0WA94M)
Chemical Name	2-Pyridinebutanol
IUPAC Name	4-pyridin-2-ylbutan-1-ol
InChI	InChI=1S/C9H13NO/c11-8-4-2-6-9-5-1-3-7-10-9/h1,3,5,7,11H,2,4,6,8H2
InChI Key	QYSOMFUUWROROT-UHFFFAOYSA-N
MDL Number	MFCD12828284
Molecular Formula	C9H13NO
Molecular Weight	151.2056
SMILES	N1=C(C=CC=C1)CCCCO
Synonyms	4-(Pyridin-2-yl)butan-1-ol, 17945-79-8, 4-(2-Pyridyl)-1-butanol, 2-Pyridinebutanol, 4-(2-pyridinyl)-1-butanol, 4-pyridin-2-ylbutan-1-ol, pyridine-butanol, 2-Pyridine-1-butanol, 2-(4-hydroxybutyl)pyridine, 4-Pyridin-2-yl-butan-1-ol, SCHEMBL2230734, CTK0H3326, DTXSID80632186, QYSOMFUUWROROT-UHFFFAOYSA-N, 6014AJ, MFCD12828284, ZINC65731429, AKOS014320898, CS-W006971, DS-6805, TRA0006318, TRA0055087, AK139999, SY022161, AJ-115567, DB-065272, ST2405467, TC-069613, 4CH-017604, FT-0083317, FT-0651369, A25736, Z-3359, MFCD12828284 (97+%), 945P798, I02-2534, I02-2768, 17545-79-8, 3-Methylphenylboronic acid, C9H13NO, 4-(2-Piperidyl)-1-butanol, 100-45-8, 100-46-9,

Complexity	95.6
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	151.1g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	151.209g/mol
Monoisotopic Mass	151.1g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	33.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H315-H319-H335
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number