AG003QZP

628-87-5 | 2,2'-Azanediyldiacetonitrile

AG003QZP

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CAS Number	628-87-5
Catalog Number	AG003QZP(AGN-PC-0JL90A)
Chemical Name	2,2'-Azanediyldiacetonitrile
EC Number	211-058-3
IUPAC Name	2-(cyanomethylamino)acetonitrile
InChI	InChI=1S/C4H5N3/c5-1-3-7-4-2-6/h7H,3-4H2
InChI Key	BSRDNMMLQYNQQD-UHFFFAOYSA-N
MDL Number	MFCD00001887
Molecular Formula	C4H5N3
Molecular Weight	95.1026
NSC Number	263496
SMILES	N#CCNCC#N
UNII	RID64Y718A
Synonyms	Iminodiacetonitrile, 628-87-5, 2,2'-Azanediyldiacetonitrile, Acetonitrile, 2,2'-iminobis-, 1,1'-Imidodiacetonitrile, Acetonitrile, iminodi-, Bis(cyanomethyl)amine, 2,2'-iminodiacetonitrile, 2,2'-Iminobisacetonitrile, Di(cianometil)ammina, 2406 I.S., 2-[(cyanomethyl)amino]acetonitrile, UNII-RID64Y718A, Di(cianometil)ammina [Italian], 2-(cyanomethylamino)acetonitrile, EINECS 211-058-3, NSC 263496, BRN 0773803, AI3-60248, RID64Y718A, CHEBI:71189, BSRDNMMLQYNQQD-UHFFFAOYSA-N, MFCD00001887, 2-[(cyanomethyl)amino]ethanenitrile, Acetonitrile, iminodi, AC1L2BTB, Acetonitrile,2'-iminobis-, Thiocyanic acid butyl ester, AC1Q4SJ8, AC1Q4SJ9, ACMC-1B14D, DSSTox_CID_21580, DSSTox_RID_79780, DSSTox_GSID_41580, 2-(cyanomethylamino)acetonitril, CHEMBL3186090, DTXSID3041580, BSRDNMMLQYNQQD-UHFFFAOYSA-, CTK3J0857, KS-00000WQX, BCP14805, STR01800, Tox21_301075, 2406IS, ANW-34432, BBL005534, HTS028479, NSC263496, SBB006575, STL134834, ZINC19230171, AKOS000121366, MCULE-4609513845, NSC-263496, RP18587, TRA0173068, MFCD00001887 (tech 92%), NCGC00248280-01, NCGC00254976-01, 2406 I.S, AJ-72652, AN-46917, CAS-628-87-5, LS-13278, O419, SY049317, AB1001914, RT-000984, TL8004303, D0434, FT-0083161, FT-0627186, ST24021437, ST51046070, T8051, I14-6323, J-506775, InChI=1/C4H5N3/c5-1-3-7-4-2-6/h7H,3-4H2, Iminodiacetonitrile (IDAN), Acetonitrilo, 2,2'-iminobis-, C4H5N3, C4-H5-N3, CID69413, AR-1D7918, 4-04-00-02428 (Beilstein Handbook Reference), 639-01-0,

Complexity	104
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	95.048g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	95.105g/mol
Monoisotopic Mass	95.048g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	59.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P301+P310-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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