AG003KR2

3544-25-0 | 4-Aminobenzyl cyanide

AG003KR2

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CAS Number	3544-25-0
Catalog Number	AG003KR2(AGN-PC-0JLQES)
Chemical Name	4-Aminobenzyl cyanide
EC Number	222-587-4
IUPAC Name	2-(4-aminophenyl)acetonitrile
InChI	InChI=1S/C8H8N2/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5,10H2
InChI Key	YCWRFIYBUQBHJI-UHFFFAOYSA-N
MDL Number	MFCD00007912
Molecular Formula	C8H8N2
Molecular Weight	132.1625
SMILES	NC1=CC=C(CC#N)C=C1
Synonyms	4-Aminobenzyl cyanide, 3544-25-0, 4-Aminophenylacetonitrile, 2-(4-aminophenyl)acetonitrile, (4-aminophenyl)acetonitrile, p-Aminobenzyl cyanide, Benzeneacetonitrile, 4-amino-, 4-aminobenzylcyanide, 4-Aminobenzyl cyanide, 99%, (4-amino-phenyl)-acetonitrile, YCWRFIYBUQBHJI-UHFFFAOYSA-N, MFCD00007912, 2-(4-aminophenyl)ethanenitrile, 4-aminobenzyl, 4-cyanomethylaniline, EINECS 222-587-4, 4-amino-benzylcyanide, p-amino benzyl cyanide, ACMC-209igv, p-Aminophenylacetonitrile, 4-aminobenzeneacetonitrile, 4-aminophenyl acetonitrile, (p-Aminophenyl)acetonitrile, AC1L2S4X, AC1Q4S3K, AC1Q51YW, AC1Q51YX, 4-AMINOBENZYL CYANID, KSC224A8T, BIDD:GT0095, SCHEMBL141424, Jsp006385, 2-(4-aminophenyl)-acetonitrile, CTK1C4089, DTXSID50188923, HMS1728C10, ZINC152526, EBD18150, KS-000009VT, STR01806, ANW-28205, BBL009470, SBB004218, STK259228, AKOS000277480, CS-W002037, MCULE-5084500896, PS-4131, RP00971, RTR-014661, TRA0076522, AC-10549, AJ-12752, AK100092, BC676372, CJ-01158, L630, SC-46997, SY015676, ZB005191, AB0014805, AB1008370, DB-048812, TR-014661, FT-0081259, FT-0617596, ST24028752, ST45026782, EN300-18737, MFCD00007912 (98%), M-3421, 544A250, I01-1105, W-106671, F0001-1024, InChI=1/C8H8N2/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5,10H, 2-Aminobenzyl cyanide, 2-Aminobenzylcyanide, C8H8N2, Acetonitrile, (p-aminophenyl)-, KST-1A4261, C8-H8-N2, CID77000, AR-1A5434, (p-Aminophenyl)acetonitrile hydrochloride, A1612, 2973-50-4, 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)indolin-2-one, 1150271-44-5, 365-21-9, 3457-99-6,

Complexity	137
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	132.069g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	132.166g/mol
Monoisotopic Mass	132.069g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	49.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H312-H332
Packing Group	Ⅲ
Precautionary statements	P280
UN Code	UN 3439

Certificate of Analysis

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