AG007DN9

159326-66-6 | 1-Amino-1H-pyrrole-2-carbonitrile

AG007DN9

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CAS Number	159326-66-6
Catalog Number	AG007DN9(AGN-PC-0MWUOG)
Chemical Name	1-Amino-1H-pyrrole-2-carbonitrile
IUPAC Name	1-aminopyrrole-2-carbonitrile
InChI	InChI=1S/C5H5N3/c6-4-5-2-1-3-8(5)7/h1-3H,7H2
InChI Key	UEMNUBZZTWYSEI-UHFFFAOYSA-N
MDL Number	MFCD09025773
Molecular Formula	C5H5N3
Molecular Weight	107.1133
SMILES	N#CC1=CC=CN1N
Synonyms	1-Amino-1H-pyrrole-2-carbonitrile, 159326-66-6, 1-aminopyrrole-2-carbonitrile, 1-AMINO-2-CYANOPYRROLE, W-205840, 1H-Pyrrole-2-carbonitrile,1-amino-(9CI), SCHEMBL65584, AMOT0372, CTK4D0039, DTXSID20433659, UEMNUBZZTWYSEI-UHFFFAOYSA-N, 1H-Pyrrole-2-carbonitrile,1-amino-, ANW-48391, CA0169, FCH863524, MFCD09025773, QC-731, ZINC34060317, 1H-Pyrrole-2-carbonitrile, 1-amino-, AKOS006287837, AM84524, RP08449, RTR-072556, SB10600, AJ-86695, AK-77652, AS-36006, BR-77652, OR015033, AB0022566, AX8058942, DB-064276, ST2415131, TR-072556, CS-0006962, FT-0685109, W3457, J3.505.105H, S-6391, I14-12106, C5H5N3, ACN-001201, CID9989230, 1-Amino-1H-pyrrole-2-carbonitrile hydrochloride, 937046-97-4,

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	1
Isotope Atom Count	0
Molecular Weight	107.116g/mol
Monoisotopic Mass	107.048g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	54.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3259

Certificate of Analysis

Lot Number