AG0008P9

1134776-30-9 | Benzoic acid, 4-[(1R)-1-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-

AG0008P9

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CAS Number	1134776-30-9
Catalog Number	AG0008P9(AGN-PC-0WD67E)
Chemical Name	Benzoic acid, 4-[(1R)-1-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-
IUPAC Name	4-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoic acid
InChI	InChI=1S/C14H19NO4/c1-9(15-13(18)19-14(2,3)4)10-5-7-11(8-6-10)12(16)17/h5-9H,1-4H3,(H,15,18)(H,16,17)/t9-/m1/s1
InChI Key	OKRPFRUXMOYTDV-SECBINFHSA-N
MDL Number	MFCD11505986
Molecular Formula	C14H19NO4
Molecular Weight	265.3050
SMILES	[C@@H](NC(=O)OC(C)(C)C)(C)c1ccc(cc1)C(=O)O
Synonyms	(R)-4-(1-((tert-butoxycarbonyl)amino)ethyl)benzoic acid, 1134776-30-9, AK155192, SCHEMBL505999, CS-M0040, KS-00000SD5, 2926AH, MFCD11505986, ZINC66352258, DS-8324, SB17726, AJ-116675, AX8289780, Z-7479, (R)-4-(1-Boc-amino-ethyl)-benzoic acid, AldrichCPR, 4-[(1R)-1-{[(tert-butoxy)carbonyl]amino}ethyl]benzoic acid, Benzoic acid, 4-[(1R)-1-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-, C14H19NO4, OKRPFRUXMOYTDV-SECBINFHSA-N, (R)-4-(1-Boc-amino-ethyl)-benzoic acid,

Complexity	327
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
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	5
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317
Packing Group
Precautionary statements	P261-P280
UN Code

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