AG000EC3

117445-22-4 | Benzoic acid, 3-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-

AG000EC3

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CAS Number	117445-22-4
Catalog Number	AG000EC3(AGN-PC-0KKKRJ)
Chemical Name	Benzoic acid, 3-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-
IUPAC Name	3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid
InChI	InChI=1S/C13H17NO4/c1-13(2,3)18-12(17)14-8-9-5-4-6-10(7-9)11(15)16/h4-7H,8H2,1-3H3,(H,14,17)(H,15,16)
InChI Key	MQNHKLMHRZYTBZ-UHFFFAOYSA-N
MDL Number	MFCD00273426
Molecular Formula	C13H17NO4
Molecular Weight	251.2784
SMILES	O=C(O)C1=CC=CC(CNC(OC(C)(C)C)=O)=C1
Synonyms	117445-22-4, Boc-3-aminomethylbenzoic acid, 3-(((tert-Butoxycarbonyl)amino)methyl)benzoic acid, 3-(n-boc-aminomethyl)benzoic acid, N-Boc-3-Aminomethyl-benzoic acid, N-Boc-3-Aminomethylbenzoic acid, 3-(Boc-aminomethyl)benzoic acid, boc-mamb, boc-3-amb-oh, N-Boc-3-(aminomethyl)benzoic Acid, 3-(boc-aminomethyl)-benzoic acid, 3-((tert-butoxycarbonylamino)methyl)benzoic acid, AK-44249, Benzoic acid, 3-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-, 3-(n-t-butyloxycarbonylaminomethyl)benzoic acid, 3-(tert-butoxycarbonylamino-methyl)-benzoic acid, 3-[(tert-butoxycarbonylamino)methyl]benzoic acid, 3-{[(tert-butoxycarbonyl)amino]methyl}benzoic acid, 3-(BOC-Aminomethyl)benzoic acid, 97%, 3-[[(tert-butoxycarbonyl)amino]methyl]benzoic acid, N-Boc-3-Aminomethyl-benzoicacid, AC1MBSEP, PubChem13483, 3-boc-aminomethylbenzoic acid, SCHEMBL184425, ACMC-2099u9, CTK7G9232, DTXSID40373144, MQNHKLMHRZYTBZ-UHFFFAOYSA-N, 3-[(boc-amino)methyl]benzoic acid, 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic Acid, ACT04955, ZINC4202417, ZX-AV000107, ANW-17023, MFCD00273426, AKOS009158406, AS06621, CS-W002599, MCULE-1150661626, RP28950, VZ26106, tert-butyl N-(3-carboxybenzyl)carbamate, AC-24609, AJ-48402, AN-32925, BBV-32035488, BR-44249, DS-13273, Q643, SC-52828, SY030510, alpha-(1-t-Butoxyformamido)-m-toluic acid, 3-((tert-butoxycarbonyl)methyl)benzoic acid, AB0004808, AX8027263, ST2417321, TC-105768, 4CH-012736, A2428, FT-0630121, 3-(tert-butoxycarbonylaminomethyl)benzoic acid, 3-tert-butyloxycarbonylaminomethylbenzoic acid, MFCD00273426 (97%), B-6519, B27241, EN300-172671, 3-(tert-Butyloxycarbonylamino)methyl benzoic acid, 3-(tert-butyloxycarbonylaminomethyl)-benzoic acid, 3-(tertbutyloxycarbonylamino)methyl benzoic acid, 3-((tert-butoxycarbonylamino)-methyl)benzoic acid, 3-(N-tert-butoxycarbonyl-aminomethyl)benzoic acid, 3-(n-tert-butyloxycarbonylaminomethyl)benzoic acid, 445B224, 3-((N-tert-Butoxycarbonylamino)methyl)benzoic acid, I01-3057, J-523500, 3-({[(tert-butoxy)carbonyl]amino}methyl)benzoic acid, 3-(Boc-aminomethyl)benzoic acid, >=97.0% (HPLC), Z1741968408, C13H17NO4, CID2755929, 3-(Boc-aminomethyl)benzoic acid, 99% - 1G 1g,

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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number