AG003R2F

65505-24-0 | Isobutyl 2-(methylamino)benzoate

AG003R2F

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CAS Number	65505-24-0
Catalog Number	AG003R2F(AGN-PC-0JSAG8)
Chemical Name	Isobutyl 2-(methylamino)benzoate
EC Number	265-798-7
FEMA Number	4149
IUPAC Name	2-methylpropyl 2-(methylamino)benzoate
InChI	InChI=1S/C12H17NO2/c1-9(2)8-15-12(14)10-6-4-5-7-11(10)13-3/h4-7,9,13H,8H2,1-3H3
InChI Key	WKYZGTHZBSYUFI-UHFFFAOYSA-N
MDL Number	MFCD14586757
Molecular Formula	C12H17NO2
Molecular Weight	207.2689
SMILES	O=C(OCC(C)C)C1=CC=CC=C1NC
UNII	IO2PZH1T3A
Synonyms	Isobutyl 2-(methylamino)benzoate, 65505-24-0, 2-Methylpropyl 2-(methylamino)benzoate, Isobutyl N-methylanthranilate, Benzoic acid, 2-(methylamino)-, 2-methylpropyl ester, UNII-IO2PZH1T3A, iso-Butyl N-methyl anthranilate, Isobutyl 2-N-methylaminobenzoate, IO2PZH1T3A, 2-Methylpropyl 2-N-methylaminobenzoate, EINECS 265-798-7, AC1LAWL6, isobutyl methyl anthranilate, SCHEMBL1532488, Isobutyl2-(Methylamino)benzoate, CTK8B4726, KS-00000BPR, WKYZGTHZBSYUFI-UHFFFAOYSA-N, Isobutyl 2-(methylamino)benzoate #, ANW-45967, MFCD14586757, ZINC13346770, AKOS008947889, RP26322, TRA0020475, AJ-63682, AK-86672, BC600065, CJ-14355, DS-18209, SY022057, TC-134712, 4CH-000710, AM20040964, FT-0688407, ST24025089, W7676, EN300-80206, Z-3382, 2-(methylamino)benzoic acid 2-methylpropyl ester, MFCD14586757 (95+%), C12H17NO2, isobutyl 2 - (methylamino)benzoate, C12-H17-N-O2, CID522171,

Complexity	204
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	207.126g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	207.273g/mol
Monoisotopic Mass	207.126g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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