AG003JYX

67333-09-9 | 4-(2-Aminoethoxy)benzonitrile

AG003JYX

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CAS Number	67333-09-9
Catalog Number	AG003JYX(AGN-PC-0NG5HI)
Chemical Name	4-(2-Aminoethoxy)benzonitrile
IUPAC Name	4-(2-aminoethoxy)benzonitrile
InChI	InChI=1S/C9H10N2O/c10-5-6-12-9-3-1-8(7-11)2-4-9/h1-4H,5-6,10H2
InChI Key	VVUJBFUHEWGKAZ-UHFFFAOYSA-N
MDL Number	MFCD16495887
Molecular Formula	C9H10N2O
Molecular Weight	162.1885
SMILES	N#CC1=CC=C(OCCN)C=C1
Synonyms	4-(2-aminoethoxy)benzonitrile, 67333-09-9, Benzonitrile, 4-(2-aminoethoxy)-, 4-(2-aminoethoxyl)benzonitrile, SCHEMBL1714571, CTK8E1789, DTXSID10455709, VVUJBFUHEWGKAZ-UHFFFAOYSA-N, KM1089, MFCD16495887, ZINC38265591, AKOS008953686, MCULE-5169510692, TRA0046863, KS-000009H6, 2-(4-Methylphenoxy)ethanamine AldrichCPR, AJ-94856, AS-32407, SY008279, AB0062783, AB1001060, DB-073866, TC-307492, FT-0726310, V7223, MFCD16495887 (97+%), I01-10034, null, C9H10N2O, CID11116359, 34408-25-8,

Complexity	165
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	162.079g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	162.192g/mol
Monoisotopic Mass	162.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	59A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

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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