AG009CX8

135321-84-5 | Methyl 4-(N-(tert-butoxycarbonyl)carbamimidoyl)benzoate

AG009CX8

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CAS Number	135321-84-5
Catalog Number	AG009CX8(AGN-PC-0WADWN)
Chemical Name	Methyl 4-(N-(tert-butoxycarbonyl)carbamimidoyl)benzoate
IUPAC Name	methyl 4-[(Z)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]benzoate
InChI	InChI=1S/C14H18N2O4/c1-14(2,3)20-13(18)16-11(15)9-5-7-10(8-6-9)12(17)19-4/h5-8H,1-4H3,(H2,15,16,18)
InChI Key	RFBFIJGVXOAJBX-UHFFFAOYSA-N
MDL Number	MFCD20261468
Molecular Formula	C14H18N2O4
Molecular Weight	278.3037
SMILES	O=C(OC)C1=CC=C(C(NC(OC(C)(C)C)=O)=N)C=C1
Synonyms	135321-84-5, methyl 4-(N-(tert-butoxycarbonyl)carbamimidoyl)benzoate, METHYL 4-(N-BOC-CARBAMIMIDOYL)BENZOATE, SCHEMBL616504, DTXSID70601765, AKOS024259279, DS-9508, VZ32625, QC-10268, AB0074340, AX8266611, 4CH-025099, ST24047880, X-1817, Methyl 4-[N'-(tert-butoxycarbonyl)carbamimidoyl]benzoate, AK151466,

Complexity	391
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	278.127g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	278.308g/mol
Monoisotopic Mass	278.127g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	91A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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