AG00DC1J

Name: Isopropyl nicotinate
Brand: Angene Chemical
SKU: AG00DC1J

553-60-6 | Isopropyl nicotinate

AG00DC1J

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CAS Number	553-60-6
Catalog Number	AG00DC1J(AGN-PC-0JL8FG)
Chemical Name	Isopropyl nicotinate
EC Number	209-043-1
IUPAC Name	propan-2-yl pyridine-3-carboxylate
InChI	InChI=1S/C9H11NO2/c1-7(2)12-9(11)8-4-3-5-10-6-8/h3-7H,1-2H3
InChI Key	VSRSQDMWBSKNSF-UHFFFAOYSA-N
MDL Number	MFCD00023583
Molecular Formula	C9H11NO2
Molecular Weight	165.1891
NSC Number	6860
SMILES	CC(OC(C1=CN=CC=C1)=O)C
UNII	900M2HXF1R
Synonyms	Isopropyl nicotinate, 553-60-6, Nipyl, 3-Pyridinecarboxylic acid, 1-methylethyl ester, Nicotinic acid, isopropyl ester, propan-2-yl pyridine-3-carboxylate, UNII-900M2HXF1R, 900M2HXF1R, Isopropyl pyridine-3-carboxylate, i-propyl nicotinate, iso-Propyl nicotinate, isopropylnicotinat, NSC 6860, EINECS 209-043-1, AC1Q5XUU, AC1L29MD, Nicotinic acidisopropyl ester, Nicotinic acid isopropyl ester, SCHEMBL1628833, DTXSID9060285, CTK5A3474, NSC6860, VSRSQDMWBSKNSF-UHFFFAOYSA-N, ZINC389488, NSC-6860, BBL100302, STL553896, AKOS006240840, Nicotinic acid, isopropyl ester (8CI), U511, ZB011719, 3-Pyridinecarboxylicacid, 1-methylethyl ester, Z209417626, Isopropyl-nicotinate, Butethamine hydrochloride, Nicotinicacidisopropyl ester, C9H11NO2, C9-H11-N-O2, CID68379, AR-1J2781, 56961-59-2,

Complexity	157
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	165.079g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	165.192g/mol
Monoisotopic Mass	165.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	39.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited