AG000QF3

120157-96-2 | Methyl 4-((tert-butoxycarbonylamino) methyl)benzoate

AG000QF3

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CAS Number	120157-96-2
Catalog Number	AG000QF3(AGN-PC-0PEAS2)
Chemical Name	Methyl 4-((tert-butoxycarbonylamino) methyl)benzoate
IUPAC Name	methyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate
InChI	InChI=1S/C14H19NO4/c1-14(2,3)19-13(17)15-9-10-5-7-11(8-6-10)12(16)18-4/h5-8H,9H2,1-4H3,(H,15,17)
InChI Key	UDPLKASYJHMKIP-UHFFFAOYSA-N
MDL Number	MFCD11870086
Molecular Formula	C14H19NO4
Molecular Weight	265.3050
SMILES	C(C)(C)(C)OC(=O)NCC1=CC=C(C(=O)OC)C=C1
Synonyms	120157-96-2, Methyl 4-(((tert-butoxycarbonyl)amino)methyl)benzoate, Methyl 4-((tert-butoxycarbonylamino) methyl)benzoate, methyl 4-(N-tert-butoxycarbonylaminomethyl)benzoate, Methyl 4-((Tert-Butoxycarbonylamino)Methyl)Benzoate, 4-(tert-butoxycarbonylamino-methyl)-benzoic acid methyl ester, Methyl 4-[(tert-butoxycarbonylamino)methyl]benzoate, methyl 4-[[(tert-butoxycarbonyl)amino]methyl]benzoate, methyl 4-{[(tert-butoxycarbonyl)amino]methyl}benzoate, methyl 4-(tert-butoxycarbonylaminomethyl)benzoate, methyl4-((tert-butoxycarbonylamino)methyl)benzoate, SCHEMBL1206337, DTXSID30557577, UDPLKASYJHMKIP-UHFFFAOYSA-N, KS-000019PF, 7041AJ, MFCD11870086, ZINC34252795, AKOS009039431, MCULE-5676389623, AJ-87654, AM803030, SY034772, 4CH-004197, ST24047865, MFCD11870086 (95%), K-1423, methyl 4-(tert-butoxycarbonylaminomethyl)-benzoate, methyl 4-[N-(tert-butoxycarbonyl)aminomethyl]benzoate, 4-(t-butoxycarbonylaminomethyl)benzoic acid methyl ester, methyl 4-[N-(tert-butoxy-carbonyl)aminomethyl]benzoate, 4-(t-butoxycarbonylamino-methyl)-benzoic acid methyl ester, 4-(t-butoxycarbonylamino-methyl)benzoic Acid Methyl Ester, 4-(tert-Butoxycarbonylaminomethyl)benzoic acid methyl ester, methyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate, Benzoic acid, 4-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-, methyl ester, C14H19NO4, Methyl 4-(Boc-aminomethyl)benzoate,

Complexity	314
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	1
Isotope Atom Count	0
Molecular Weight	265.309g/mol
Monoisotopic Mass	265.131g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	64.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number