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AG00GR7T

Name: Benzyl nicotinate
Brand: Angene Chemical
SKU: AG00GR7T

94-44-0 | Benzyl nicotinate

Chemical structure of Benzyl nicotinate, CAS 94-44-0

AG00GR7T

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CAS Number	94-44-0
Catalog Number	AG00GR7T(AGN-PC-0JK7YS)
Chemical Name	Benzyl nicotinate
EC Number	202-332-3
IUPAC Name	benzyl pyridine-3-carboxylate
InChI	InChI=1S/C13H11NO2/c15-13(12-7-4-8-14-9-12)16-10-11-5-2-1-3-6-11/h1-9H,10H2
InChI Key	KVYGGMBOZFWZBQ-UHFFFAOYSA-N
MDL Number	MFCD00023584
Molecular Formula	C13H11NO2
Molecular Weight	213.2319
SMILES	O=C(OCC1=CC=CC=C1)C2=CN=CC=C2
UNII	S497LCF9C9
Synonyms	benzyl nicotinate, nicotinic acid benzyl ester, nicotinic acid benzyl ester, hexafluorosilicate (2-) (2:1), pyridine-3-carboxylic acid benzyl ester, Benzyl nicotinate, 94-44-0, Nicotinic acid benzyl ester, Benzyl pyridine-3-carboxylate, Rubriment, Pycaril, Pykaryl, Niacin benzyl ester, 3-Pyridinecarboxylic acid, phenylmethyl ester, Benzylis nicotinas, NICOTINIC ACID, BENZYL ESTER, Nicotinsaeurebenzylester, UNII-S497LCF9C9, Pyridin-3-carbonsaeurebenzylester, Phenylmethyl 3-pyridinecarboxylate, Estru benzylowego kwasu nikotynowego, Benzyl nicotinate [JAN], EINECS 202-332-3, BRN 0159169, S497LCF9C9, Estru benzylowego kwasu nikotynowego [Polish], CHEBI:31268, KVYGGMBOZFWZBQ-UHFFFAOYSA-N, MFCD00023584, NCGC00166105-01, Benzyl nicotinate (JAN), phenylmethyl pyridine-3-carboxylate, Nicotinic acid benzyl, PubChem14115, 4eh5, ACMC-209rrt, 3-pyridinecarboxylic acid phenylmethyl ester, AC1L1O7P, AC1Q65VK, benzylpyridine-3-carboxylate, DSSTox_CID_26542, DSSTox_RID_81706, DSSTox_GSID_46542, SCHEMBL24600, KSC492E6J, MLS004773910, ARONIS24131, CHEMBL209744, DTXSID7046542, CTK3J2264, KVYGGMBOZFWZBQ-UHFFFAOYSA-, HMS1716K12, Nicotinic acid, phenylmethyl ester, ZINC391816, CS-B1730, KS-00000L6I, Tox21_112318, 6144AC, ANW-40263, SBB058611, AKOS001089628, Benzyl nicotinate, >=98.0% (GC), DS-6445, LS20871, MCULE-3740649694, RTR-029518, CAS-94-44-0, Pyridine-3-carboxylic acid benzyl ester, NCGC00166105-02, NCGC00166105-03, NCGC00166105-04, AC-13029, AJ-21119, AK114370, AN-42690, CJ-03511, LS-96527, SC-47457, SMR001550568, ZB012058, ST2419143, TR-029518, FT-0622777, N0083, ST50319639, A23904, C12865, D01419, AB01328141-02, Nicotinic Acid Benzyl Ester (Benzyl Nicotinate), SR-01000940939, SR-01000940939-2, W-100195, Benzyl Nicotinate, Pharmaceutical Secondary Standard; Certified Reference Material, 0OM, InChI=1/C13H11NO2/c15-13(12-7-4-8-14-9-12)16-10-11-5-2-1-3-6-11/h1-9H,10H2, Benzylnicotinate, benzylnicotinat-, C13H11NO2, CID7191, C13-H11-N-O2, pyridine-beta-carboxylic acid benzyl ester, 5-22-02-00062 (Beilstein Handbook Reference),

Complexity	224
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	213.079g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	213.236g/mol
Monoisotopic Mass	213.079g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	39.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

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

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited