AG000BFH

116026-95-0 | Carbamic acid, N-(4-formyl-3-pyridinyl)-, 1,1-dimethylethyl ester

AG000BFH

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CAS Number	116026-95-0
Catalog Number	AG000BFH(AGN-PC-000MGY)
Chemical Name	Carbamic acid, N-(4-formyl-3-pyridinyl)-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl N-(4-formylpyridin-3-yl)carbamate
InChI	InChI=1S/C11H14N2O3/c1-11(2,3)16-10(15)13-9-6-12-5-4-8(9)7-14/h4-7H,1-3H3,(H,13,15)
InChI Key	YLKONQAWPOHLPX-UHFFFAOYSA-N
MDL Number	MFCD02683209
Molecular Formula	C11H14N2O3
Molecular Weight	222.2405
SMILES	O=C(OC(C)(C)C)NC1=C(C=O)C=CN=C1
Synonyms	116026-95-0, tert-butyl 4-formylpyridin-3-ylcarbamate, tert-Butyl (4-formylpyridin-3-yl)carbamate, N-Boc-3-Amino-4-formylpyridine, tert-butyl N-(4-formylpyridin-3-yl)carbamate, (4-FORMYL-PYRIDIN-3-YL)-CARBAMIC ACID TERT-BUTYL ESTER, t-Butyl 4-formylpyridin-3-ylcarbamate, N-BOC-3-AMINO-4-PYRIDINE CARBOXZYALDEHYDE, Carbamic acid, (4-formyl-3-pyridinyl)-, 1,1-dimethylethyl ester, Carbamic acid,N-(4-formyl-3-pyridinyl)-, 1,1-dimethylethyl ester, MFCD02683209, t-Butyl4-formylpyridin-3-ylcarbamate, PubChem19569, ACMC-20f8wt, SCHEMBL1020140, 3-(Boc-amino)isonicotinaldehyde, CTK4A9609, DTXSID90557013, YLKONQAWPOHLPX-UHFFFAOYSA-N, ACT03916, ZINC2583496, SBB052229, AKOS015841514, AB12473, CB-3507, CM10514, CS-W019798, PS-5688, RP05243, VP14951, tert-Butyl 4-formyl-3-pyridinylcarbamate, AJ-43241, AK-29794, AN-33089, EN000636, SC-30631, AB0037885, DB-027898, ST2407617, TC-020306, tert-butyl-(4-formylpyridin-3-yl)carbamate, FT-0646865, J1157, tert-butyl N-(4-formyl-3-pyridyl)carbamate, Y5218, C-1422, (tert-butoxy)-N-(4-formyl(3-pyridyl))carboxamide, 026F950, 3-(tert-Butoxycarbonylamino)pyridine-4-carbaldehyde, I02-1912, J-003370, J-524703, 3-AMINOPYRIDINE-4-CARBOXALDEHYDE, 3-BOC PROTECTED, (4-FORMYL-PYRIDIN-3-YL)CARBAMIC ACID TERT-BUTYL ESTER, Carbamic acid, N-(4-formyl-3-pyridinyl)-, 1,1-dimethylethyl ester, C11H14N2O3, A2383,

Complexity	260
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.1g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	222.244g/mol
Monoisotopic Mass	222.1g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	68.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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