AG000JZW

123036-51-1 | N-Boc-3-Aminophenylacetic acid

AG000JZW

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CAS Number	123036-51-1
Catalog Number	AG000JZW(AGN-PC-0KKOB0)
Chemical Name	N-Boc-3-Aminophenylacetic acid
IUPAC Name	2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
InChI	InChI=1S/C13H17NO4/c1-13(2,3)18-12(17)14-10-6-4-5-9(7-10)8-11(15)16/h4-7H,8H2,1-3H3,(H,14,17)(H,15,16)
InChI Key	RGLDALVJLSFYMV-UHFFFAOYSA-N
MDL Number	MFCD02682313
Molecular Formula	C13H17NO4
Molecular Weight	251.2784
SMILES	O=C(O)CC1=CC=CC(NC(OC(C)(C)C)=O)=C1
Synonyms	N-Boc-3-aminophenylacetic Acid, 123036-51-1, boc-3-aminophenylacetic acid, 3-aminophenylacetic acid, n-boc protected, 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic Acid, Benzeneacetic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, Benzeneacetic acid,3-[[(1,1-dimethylethoxy)carbonyl]amino]-, 2-(3-(tert-butoxycarbonylamino)phenyl)acetic acid, 2-[3-(tert-butoxycarbonylamino)phenyl]acetic acid, ACMC-20aguq, AC1MC3UQ, N-Boc-3-aminophenylaceticAcid, SCHEMBL999345, 3-(Boc-amino)phenylacetic acid, CTK4B3392, KS-00000CGA, DTXSID80375440, ZINC1494949, 4429AA, ANW-72768, MFCD02682313, SBB100952, AKOS009159324, AC-7205, AN-9219, TRA0013980, 3-Aminophenylacetic acid,N-BOCprotected, AJ-26366, AK-26901, SC-26609, SY005118, 3-tert-butoxycarbonylaminophenylacetic acid, 3-(Carboxymethyl)aniline, N-BOC protected, AB0072057, AB1000358, DB-062130, TC-161513, TR-003654, FT-0677329, tert-Butyl [3-(carboxymethyl)phenyl]carbamate, 3-[(tert-Butoxycarbonyl)amino]phenylacetic acid, Z-3388, MFCD02682313 (95+%), {3-[(tert-butoxycarbonyl)amino]phenyl}acetic acid, 2-(3-((tert-butoxycarbonyl)amino)phenyl)acetic acid, 2-{3-[(tert-butoxy)carbonylamino]phenyl}acetic acid, 2-(3-{[(tert-butoxy)carbonyl]amino}phenyl)acetic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]Benzeneacetic acid, {3-[(tert-Butoxycarbonyl)amino]phenyl}acetic acid, AldrichCPR, null, boc-(3-aminophenyl)acetic acid, 3-tert-Butoxy carbonylaminophenyl acetic acid, C13H17NO4, CID2760959, 3-tert-butoxycarbonylaminophenyl acetic acid, 11015-37-5,

Complexity	309
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-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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