AG004ZH0

81196-09-0 | BOC-(4-AMINOPHENYL)ACETIC ACID

AG004ZH0

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CAS Number	81196-09-0
Catalog Number	AG004ZH0(AGN-PC-0KLRS1)
Chemical Name	BOC-(4-AMINOPHENYL)ACETIC ACID
IUPAC Name	2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
InChI	InChI=1S/C13H17NO4/c1-13(2,3)18-12(17)14-10-6-4-9(5-7-10)8-11(15)16/h4-7H,8H2,1-3H3,(H,14,17)(H,15,16)
InChI Key	ZXYKUPPWJMOKGE-UHFFFAOYSA-N
MDL Number	MFCD00099367
Molecular Formula	C13H17NO4
Molecular Weight	251.2784
SMILES	O=C(O)CC1=CC=C(NC(OC(C)(C)C)=O)C=C1
Synonyms	81196-09-0, 2-(4-((tert-Butoxycarbonyl)amino)phenyl)acetic acid, {4-[(tert-butoxycarbonyl)amino]phenyl}acetic acid, 4-(T-BUTYLOXYCARBONYLAMINO)PHENYLACETIC ACID, 2-(4-{[(tert-butoxy)carbonyl]amino}phenyl)acetic acid, 4-(Boc-amino)phenylacetic Acid, 2-(4-(tert-butoxycarbonylamino)phenyl)acetic acid, Benzeneacetic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, 2-{4-[(tert-butoxy)carbonylamino]phenyl}acetic acid, 2-{4-[(tert-butoxycarbonyl)amino]phenyl}acetic acid, AC1ME8FM, AC1Q1NA6, Oprea1_154233, SCHEMBL977842, N-Boc-4-aminophenylacetic acid, CTK7G5515, KS-00003SST, DTXSID20385008, ZXYKUPPWJMOKGE-UHFFFAOYSA-N, ZINC173232, 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic Acid, BCP26979, ANW-47778, MFCD00099367, SBB052668, AKOS000169793, CS-W020615, MCULE-2911942723, 4-t-butoxycarbonylaminophenylacetic acid, AJ-17585, AK-54834, BR-54834, SY020503, TS-00792, 4-t-butoxycar-bonylamino-phenylacetic acid, 4-(tertbutoxycarbonylamino)phenylacetic acid, DB-056500, TC-136523, 4-(t-butoxycarbonylamino)-benzeneacetic acid, 4CH-007098, FT-0083589, FT-0641813, ST24027520, ST50949555, W8576, EN300-29924, MFCD00099367 (95%), (4-tert-butoxycarbonylamino-phenyl)-acetic acid, S-2305, Z235361247, 4-[[(1,1-Dimethylethoxy)carbonyl]amino]benzeneacetic acid, Boc-4-aminophenylacetic acid, BOC-(4-AMINOPHENYL)ACETIC ACID, C13H17NO4, CID2824993, 2-(4-(tert-butoxycarbonyl)phenyl)acetic acid, A15823, 2-[4-[(tert-butoxycarbonyl)amino]phenyl]acetic acid,

Complexity	301
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	251.116g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	251.282g/mol
Monoisotopic Mass	251.116g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number