AG003EZX

40851-66-9 | 2-(2-(((tert-butoxycarbonyl)amino)methyl)phenyl)acetic acid

AG003EZX

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CAS Number	40851-66-9
Catalog Number	AG003EZX(AGN-PC-0H3TK0)
Chemical Name	2-(2-(((tert-butoxycarbonyl)amino)methyl)phenyl)acetic acid
IUPAC Name	2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]acetic acid
InChI	InChI=1S/C14H19NO4/c1-14(2,3)19-13(18)15-9-11-7-5-4-6-10(11)8-12(16)17/h4-7H,8-9H2,1-3H3,(H,15,18)(H,16,17)
InChI Key	CGPQRFCFBISLKF-UHFFFAOYSA-N
MDL Number	MFCD06656428
Molecular Formula	C14H19NO4
Molecular Weight	265.3050
SMILES	O=C(O)CC1=CC=CC=C1CNC(OC(C)(C)C)=O
Synonyms	40851-66-9, 2-(BOC-AMINOMETHYL)PHENYLACETIC ACID, BOC-2-AMINOMETHYL-PHENYLACETIC ACID, 2-(2-(((tert-Butoxycarbonyl)amino)methyl)phenyl)acetic acid, 2-(2-(N-BOC-AMINOMETHYL)PHENYL)ACETIC ACID, 2-(2-((tert-butoxycarbonylamino)methyl)phenyl)acetic acid, 2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]acetic Acid, (2-{[(tert-butoxycarbonyl)amino]methyl}phenyl)acetic acid, BENZENEACETIC ACID, 2-[[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]METHYL]-, AC1MBSEM, PubChem22178, SCHEMBL825511, KS-00000AEE, DTXSID80373143, CGPQRFCFBISLKF-UHFFFAOYSA-N, 2-(Boc-aminomethyl)phenylaceticAcid, BCP21715, 5573AB, AB3116, Boc-2-(aminomethyl)phenylacetic acid, CB-498, MFCD06656428, ZINC14632611, AKOS015891415, QC-8923, VZ31498, ACM40851669, AJ-65240, AK113508, AS-44687, BBV-43864091, CC-24923, SC-27278, SY004133, AB0085831, AB1008617, AX8015570, FT-0639675, Z-3830, 2-(Boc-aminomethyl)phenylacetic acid, >=99.0%, MFCD06656428 (97+%), 2-(tert-butoxycarbonylaminomethyl)phenylacetic acid, 851B669, A825319, C-16602, 2-(tert-Butoxycarbonylaminomethyl)benzeneacetic acid, I01-9493, [2-(tert-butoxycarbonylamino-methyl)-phenyl]-acetic acid, 2-[2-({[(tert-butoxy)carbonyl]amino}methyl)phenyl]acetic acid, 2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]ethanoic acid, 2-[2-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]phenyl]acetic acid, null, C14H19NO4, CID2755928,

Complexity	322
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	265.131g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	265.309g/mol
Monoisotopic Mass	265.131g/mol
Rotatable Bond Count	6
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-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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