AG0022WA

18144-47-3 | Benzoic acid, 4-amino-, 1,1-dimethylethyl ester

AG0022WA

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CAS Number	18144-47-3
Catalog Number	AG0022WA(AGN-PC-0JOAON)
Chemical Name	Benzoic acid, 4-amino-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 4-aminobenzoate
InChI	InChI=1S/C11H15NO2/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8/h4-7H,12H2,1-3H3
InChI Key	KYORUZMJUKHKFS-UHFFFAOYSA-N
MDL Number	MFCD00665790
Molecular Formula	C11H15NO2
Molecular Weight	193.2423
NSC Number	31647
SMILES	C(=O)(OC(C)(C)C)c1ccc(cc1)N
Synonyms	tert-Butyl 4-aminobenzoate, 18144-47-3, 4-Aminobenzoic Acid tert-Butyl Ester, TERT-BUTYL-4-AMINOBENZOATE, tert-Butyl4-aminobenzoate, 4-Amino-benzoic acid tert-butyl ester, T-Butyl 4-aminobenzoate, Benzoic acid, 4-amino-, 1,1-dimethylethyl ester, NSC31647, PubChem13275, ACMC-209eht, t-butyl-4-aminobenzoate, AC1L5POK, AC1Q1MPZ, AC1Q5XKI, 4-tert.butoxycarbonyl-aniline, KSC490C3B, tert.-butyl 4-amino-benzoate, SCHEMBL380152, 4-(tert-Butoxycarbonyl)aniline, 4-tert.butyloxycarbonyl-aniline, Jsp003718, CTK3J0130, DTXSID00283457, 4-aminobenzoic acid t-butyl ester, KYORUZMJUKHKFS-UHFFFAOYSA-N, 1,1-dimethylethyl 4-aminobenzoate, AM798, 4-amino benzoic acid t-butyl ester, 4-amino-benzoic acid t-butyl ester, ACT00208, CS-M1336, KS-000009XS, ZINC1663911, 2-methyl-2-propanyl 4-aminobenzoate, AB1270, ANW-23055, MFCD00665790, NSC-31647, SBB063333, AKOS005157083, AC-8126, CB-1748, MCULE-4658989126, PS-4853, RP25246, VZ28302, AJ-28952, AK-46025, BC222078, BR-46025, CJ-06024, CJ-26869, Q023, SC-13819, SY023203, AB0017349, RT-003839, ST2407696, TL8001453, 4CH-017914, B3504, FT-0601099, MFCD00665790 (98%), tert-Butyl 4-aminobenzoate, >=98.0% (NT), M-2357, 144B473, A1-00364, I01-1331, J-524838, C11H15NO2, AR-1L6039, CID233272, ACN-040291, 21263-18-3,

Complexity	200
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	193.11g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	193.246g/mol
Monoisotopic Mass	193.11g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H319
Packing Group	\N
Precautionary statements	P305+P351+P338
Signal Words	warning
UN Code	\N

Certificate of Analysis

Lot Number