AG0038HC

71420-95-6 | 3-[(Boc-amino)methyl]phenylacetic Acid

AG0038HC

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CAS Number	71420-95-6
Catalog Number	AG0038HC(AGN-PC-0KKKRK)
Chemical Name	3-[(Boc-amino)methyl]phenylacetic Acid
IUPAC Name	2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]acetic acid
InChI	InChI=1S/C14H19NO4/c1-14(2,3)19-13(18)15-9-11-6-4-5-10(7-11)8-12(16)17/h4-7H,8-9H2,1-3H3,(H,15,18)(H,16,17)
InChI Key	KMXLLJZRUTZTMA-UHFFFAOYSA-N
MDL Number	MFCD06656429
Molecular Formula	C14H19NO4
Molecular Weight	265.3050
SMILES	C(C)(C)(C)OC(=O)NCC=1C=C(C=CC1)CC(=O)O
Synonyms	71420-95-6, 2-(3-(((tert-Butoxycarbonyl)amino)methyl)phenyl)acetic acid, 3-[(Boc-amino)methyl]phenylacetic Acid, Boc-3-aminomethyl-phenylacetic acid, 2-(3-((tert-butoxycarbonylamino)methyl)phenyl)acetic acid, AK-86329, 2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]acetic Acid, [3-(tert-Butoxycarbonylamino-methyl)-phenyl]-acetic acid, (3-{[(tert-butoxycarbonyl)amino]methyl}phenyl)acetic acid, AC1MBSES, ACMC-1BB7E, SCHEMBL2787151, KS-00000CTE, DTXSID00373145, KMXLLJZRUTZTMA-UHFFFAOYSA-N, AB3117, ANW-46341, MFCD06656429, ZINC14632613, 3-[(Boc-amino)methyl]phenylaceticAcid, AKOS015917243, CS-W006576, AJ-65241, AS-18520, QC-11475, SC-93535, SY020504, AB0026382, AX8106447, TC-135086, FT-0679880, ST24027498, W8033, MFCD06656429 (95%), T57249, Z-1956, 3-(N-t-butoxycarbonylaminomethyl)phenylacetic acid, 2-(3-(N-BOC-AMINOMETHYL)PHENYL)ACETIC ACID, S01-0876, C14H19NO4, CID2755930, BOC-(3-AMINOMETHYLPHENYL)ACETIC ACID, Benzeneacetic acid,3-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-,

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

Certificate of Analysis

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