AG003KGX

17252-51-6 | 4,4-Trimethylenedipyridine

AG003KGX

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CAS Number	17252-51-6
Catalog Number	AG003KGX(AGN-PC-0WAG4E)
Chemical Name	4,4-Trimethylenedipyridine
EC Number	241-284-8
IUPAC Name	4-(3-pyridin-4-ylpropyl)pyridine
InChI	InChI=1S/C13H14N2/c1(2-12-4-8-14-9-5-12)3-13-6-10-15-11-7-13/h4-11H,1-3H2
InChI Key	OGNCVVRIKNGJHQ-UHFFFAOYSA-N
MDL Number	MFCD00038046
Molecular Formula	C13H14N2
Molecular Weight	198.2637
NSC Number	42785
SMILES	C1(CCCC2=CC=NC=C2)=CC=NC=C1
UNII	46E636572H
Synonyms	1,3-bis(4-pyridyl)propane, 4,4'-Trimethylenedipyridine, 1,3-Di(4-pyridyl)propane, 17252-51-6, 1,3-Bis(4-pyridyl)propane, Pyridine, 4,4'-(1,3-propanediyl)bis-, UNII-46E636572H, 4,4-trimethylenedipyridine, 4,4'-Propane-1,3-diyldipyridine, 4-(3-pyridin-4-ylpropyl)pyridine, MFCD00038046, 46E636572H, 4-(3-(4-pyridyl)propyl)pyridine, Pyridine, 4,4'-trimethylenedi-, EINECS 241-284-8, NSC 42785, 4,4'-(Propane-1,3-diyl)dipyridine, AC1L3CS3, AC1Q4WU1, ACMC-1BS55, DSSTox_CID_24852, DSSTox_RID_80531, Pyridine,4'-trimethylenedi-, DSSTox_GSID_44852, 4,4'-Trimethylenebispyridine, MLS001359957, SCHEMBL351920, 1,3-Di(pyridin-4-yl)propane, CHEMBL1865417, DTXSID6044852, CTK3J5728, OGNCVVRIKNGJHQ-UHFFFAOYSA-, OGNCVVRIKNGJHQ-UHFFFAOYSA-N, HMS3040H06, ZINC119317, NSC42785, 4,4'-Trimethylenedipyridine, 98%, Tox21_301632, 1,3-Bis(4-pyridyl)propane, 97%, NSC-42785, SBB057663, Pyridine,4'-(1,3-propanediyl)bis-, AKOS015901360, MCULE-6753965375, RTR-007364, 4-[3-(4-Pyridinyl)propyl]pyridine #, ACM17252516, NCGC00247281-01, NCGC00256266-01, Pyridine, 4,4'-trimethylenedi- (8CI), AJ-11565, CC-17230, SMR001224332, ST080584, ZB003946, CAS-17252-51-6, DB-043907, D0938, FT-0606604, C-09234, J-010829, 4,4 inverted exclamation marka-Trimethylenedipyridine, I14-15086, I14-15087, InChI=1/C13H14N2/c1(2-12-4-8-14-9-5-12)3-13-6-10-15-11-7-13/h4-11H,1-3H2, 3-Thienyl Chloride, 4, 4'-Trimethylenedipyridine, 4,4/'-Trimethylenedipyridine, KST-1B1011, C13H14N2, CID87019, AR-1B6757, C13-H14-N2, 1,3-Bis(4-pyridyl)propane, 97% - 100G 100g, 17610-50-3,

Complexity	140
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	198.116g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	198.269g/mol
Monoisotopic Mass	198.116g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	25.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335-H301
Packing Group
Precautionary statements	P264-P270-P271-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501-P280h-P309-P310-P261-P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

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