AG003R2A

21245-01-2 | Isoamyl 4-(dimethylamino)benzoate

AG003R2A

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CAS Number	21245-01-2
Catalog Number	AG003R2A(AGN-PC-0JLXOS)
Chemical Name	Isoamyl 4-(dimethylamino)benzoate
EC Number	244-288-8
IUPAC Name	3-methylbutyl 4-(dimethylamino)benzoate
InChI	InChI=1S/C14H21NO2/c1-11(2)9-10-17-14(16)12-5-7-13(8-6-12)15(3)4/h5-8,11H,9-10H2,1-4H3
InChI Key	OFSAUHSCHWRZKM-UHFFFAOYSA-N
MDL Number	MFCD00059356
Molecular Formula	C14H21NO2
Molecular Weight	235.3220
SMILES	O=C(OCCC(C)C)C1=CC=C(N(C)C)C=C1
UNII	956679A27P
Synonyms	3-Methylbutyl 4-(dimethylamino)benzoate, isoamyl 4-N,N-dimethylaminobenzoate, Spectraban, 21245-01-2, Isoamyl 4-(Dimethylamino)benzoate, Spectraban, 4-Dimethylaminobenzoic acid isoamyl ester, 3-Methylbutyl-4-dimethylaminobenzoate, Isoamyl Para-N,N-Dimethylaminobenzoate, 3-methylbutyl 4-(dimethylamino)benzoate, Benzoic acid, 4-(dimethylamino)-, 3-methylbutyl ester, 3-Methylbutyl 4-Dimethylaminobenzoate, UNII-956679A27P, Isopentyl 4-(Dimethylamino)benzoate, 3-Methylbutyl4-dimethylaminobenzoate, NCGC00166258-01, 956679A27P, DSSTox_CID_26580, DSSTox_RID_81739, DSSTox_GSID_46580, 4-(Dimethylamino)benzoic acid isoamyl ester, CAS-21245-01-2, Padimato, Padimate [INN:BAN], Padimatum [INN-Latin], Padimato [INN-Spanish], AC1L3GL6, AC1Q66IP, SCHEMBL59872, KSC494O9H, MLS004773981, Jsp004333, CHEMBL1358100, DTXSID3046580, CTK3J4793, CHEBI:136011, OFSAUHSCHWRZKM-UHFFFAOYSA-N, ZINC395573, KS-00000IJ3, EINECS 244-288-8, Isoamyl 4-N,N-dimethylaminobenzoate, Tox21 112377, Tox21_112377, ANW-41630, MFCD00059356, AKOS015890281, Tox21_112377_1, MCULE-1114836792, RP28175, NCGC00166258-02, AC-13351, AJ-21523, AK-41118, AS-14840, CJ-03669, M796, SMR003500672, ZB012542, RT-002182, D1760, FT-0655202, I1013, ST24030786, ST51038301, 4-(Dimethylamino)benzoic Acid Isopentyl Ester, 245D012, 4-(Dimethylamino)benzoic acid 3-methylbutyl ester, Benzoic acid, p-(dimethylamino-), isopentyl ester, I01-6143, Isoamyl 4-(dimethylamino)benzoate,mixture of isomers, W-107566, BRD-K03277473-001-01-2, Isoamyl 4-(dimethylamino)benzoate,mixture of isomers, 98%, UNII-77FU10423X component OFSAUHSCHWRZKM-UHFFFAOYSA-N, Isoamyl 4-(Dimethylamino)benzoate [contains 2-Methylbutyl 4-(Dimethylamino)benzoate], Padimate, Padimatum, Padimate A, Padimate [INN], Isoamyl4-(dimethylamino)benzoate, C14H21NO2, ACN-S002304, CID88836, AR-1L5443, 4-Dimethylaminobenzoic acid isoamyl ester, 98% - 250G 250g, 96860-19-4,

Complexity	230
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	235.157g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	235.327g/mol
Monoisotopic Mass	235.157g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number