AG003K1I

60753-14-2 | 3-Pyridinebutanol

AG003K1I

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CAS Number	60753-14-2
Catalog Number	AG003K1I(AGN-PC-00MI08)
Chemical Name	3-Pyridinebutanol
IUPAC Name	4-pyridin-3-ylbutan-1-ol
InChI	InChI=1S/C9H13NO/c11-7-2-1-4-9-5-3-6-10-8-9/h3,5-6,8,11H,1-2,4,7H2
InChI Key	GPJCBIYBTLQPQG-UHFFFAOYSA-N
MDL Number	MFCD00060615
Molecular Formula	C9H13NO
Molecular Weight	151.2056
SMILES	OCCCCC1=CC=CN=C1
Synonyms	60753-14-2, 4-(3-Pyridyl)-1-butanol, 4-(Pyridin-3-yl)butan-1-ol, 3-Pyridinebutanol, 3-(4-hydroxybutyl)-pyridine, 4-(3-pyridyl)but-Anol, 3-(4-hydroxybutyl)pyridine, 4-(3-Pyridinyl)butane-1-ol, SCHEMBL1288240, GPJCBIYBTLQPQG-UHFFFAOYSA-N, 5963AJ, MFCD18802565, ZINC39644661, DS-8635, KS-0000091B, AK146720, SY022160, AB0072553, AJ-100497, TC-307509, FT-0755750, Z-4676, MFCD18802565 (95+%), C9H13NO, 24214-72-0,

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	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

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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