AG005JIC

755753-61-8 | 2-Amino-1H-pyrrole-3-carbonitrile

AG005JIC

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CAS Number	755753-61-8
Catalog Number	AG005JIC(AGN-PC-03S6PK)
Chemical Name	2-Amino-1H-pyrrole-3-carbonitrile
IUPAC Name	2-amino-1H-pyrrole-3-carbonitrile
InChI	InChI=1S/C5H5N3/c6-3-4-1-2-8-5(4)7/h1-2,8H,7H2
InChI Key	HGUUICKROVJTES-UHFFFAOYSA-N
MDL Number	MFCD08236820
Molecular Formula	C5H5N3
Molecular Weight	107.1133
SMILES	N#CC1=C(N)NC=C1
Synonyms	2-Amino-1H-pyrrole-3-carbonitrile, 755753-61-8, 2-amino-3-cyano-1H-pyrrole, 2-amino-3-cyanopyrrole, C5H5N3, 2-AMINO-1H-PYRROLE-3- CARBONITRILE, AK113303, 1H-Pyrrole-3-carbonitrile, 2-amino-, AC1Q50WB, SCHEMBL3660115, CTK5E1715, KS-00000MRS, DTXSID90626258, 2-azanyl-1H-pyrrole-3-carbonitrile, 1744AC, 1H-Pyrrole-3-carbonitrile,2-amino-, FCH858900, FD7220, MFCD08236820, ZINC39118281, AKOS006285527, AB44098, AC-5756, GS-5846, AJ-98500, AN-10619, SC-89545, AX8069643, DB-074999, 4CH-022073, FT-0698934, ST24039848, 753A618, A838454, ACN-032221,

Complexity	123
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	107.048g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	107.116g/mol
Monoisotopic Mass	107.048g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	65.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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