AG00IAYH

620-95-1 | Pyridine, 3-(phenylmethyl)-

AG00IAYH

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CAS Number	620-95-1
Catalog Number	AG00IAYH(AGN-PC-0JKAF4)
Chemical Name	Pyridine, 3-(phenylmethyl)-
EC Number	210-661-9
IUPAC Name	3-benzylpyridine
InChI	InChI=1S/C12H11N/c1-2-5-11(6-3-1)9-12-7-4-8-13-10-12/h1-8,10H,9H2
InChI Key	UUCLVSDUMKMBSM-UHFFFAOYSA-N
MDL Number	MFCD00006408
Molecular Formula	C12H11N
Molecular Weight	169.2224
SMILES	C1(CC2=CC=CC=C2)=CC=CN=C1
Synonyms	3-benzylpyridine, 3-BENZYLPYRIDINE, 620-95-1, 3-benzyl-pyridine, Pyridine, 3-(phenylmethyl)-, UUCLVSDUMKMBSM-UHFFFAOYSA-N, EINECS 210-661-9, 3-(Benzyl)pyridine, Pyridine, 3-benzyl-, ACMC-209mzi, AC1L1YVI, 69966-54-7, SCHEMBL177863, CTK3J2749, DTXSID80211051, ACT11392, ZINC1051780, ZX-AT020468, ANW-34060, MFCD00006408, OR8904, AKOS000279584, API0001159, FCH1117087, RTR-070374, VP14482, KS-0000165A, AJ-24819, AK116666, AS-47383, CC-14306, O340, ZB015798, AX8084760, DB-054062, TL8004032, FT-0615108, Z-7939, C-30625, InChI=1/C12H11N/c1-2-5-11(6-3-1)9-12-7-4-8-13-10-12/h1-8,10H,9H, C12H11N, CID12112, NSC35531, C12-H11-N, ACN-054265, B1553,

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	169.089g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	169.227g/mol
Monoisotopic Mass	169.089g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	12.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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