AG006EMU

937046-95-2 | tert-Butyl 1H-pyrrol-1-ylcarbamate

AG006EMU

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CAS Number	937046-95-2
Catalog Number	AG006EMU(AGN-PC-086FDV)
Chemical Name	tert-Butyl 1H-pyrrol-1-ylcarbamate
EC Number	810-523-3
IUPAC Name	tert-butyl N-pyrrol-1-ylcarbamate
InChI	InChI=1S/C9H14N2O2/c1-9(2,3)13-8(12)10-11-6-4-5-7-11/h4-7H,1-3H3,(H,10,12)
InChI Key	JDOTVVAIWOCYFL-UHFFFAOYSA-N
MDL Number	MFCD09863891
Molecular Formula	C9H14N2O2
Molecular Weight	182.2197
SMILES	O=C(OC(C)(C)C)NN1C=CC=C1
Synonyms	937046-95-2, TERT-BUTYL 1H-PYRROL-1-YLCARBAMATE, PYRROL-1-YL-CARBAMIC ACID TERT-BUTYL ESTER, N-(1H-PYRROL-1-YL)(TERT-BUTOXY)FORMAMIDE, Pyrrol-1-yl-carbamicacid tert-butyl ester, SCHEMBL59469, CTK5H2844, DTXSID40678242, JDOTVVAIWOCYFL-UHFFFAOYSA-N, tert-butyl N-pyrrol-1-ylcarbamate, ANW-48185, CP-012, MFCD09863891, QC-728, SC4442, ZINC11919420, AKOS006314517, CS-W001687, MB07933, N-(pyrrol-1-yl)(tert-butoxy)formamide, tert-Butyl (1H-pyrrol-1-yl)carbamate, KS-000008N9, AJ-60461, AS-54675, BR-38686, SC-32440, TC-136930, FT-0686189, ST24031717, W9632, S-4371, (1H-Pyrrole-1-yl)carbamic acid tert-butyl ester, C9H14N2O2, tert-Butyl1H-pyrrol-1-ylcarbamate, EC 810-523-3,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.106g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	182.223g/mol
Monoisotopic Mass	182.106g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	43.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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