AG0006AP

1020046-39-2 | BENZONITRILE, 5-AMINO-2-ETHOXY-

AG0006AP

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CAS Number	1020046-39-2
Catalog Number	AG0006AP(AGN-PC-0WB3Y0)
Chemical Name	BENZONITRILE, 5-AMINO-2-ETHOXY-
IUPAC Name	5-amino-2-ethoxybenzonitrile
InChI	InChI=1S/C9H10N2O/c1-2-12-9-4-3-8(11)5-7(9)6-10/h3-5H,2,11H2,1H3
InChI Key	RIPHVNUYRKOROW-UHFFFAOYSA-N
MDL Number	MFCD10686562
Molecular Formula	C9H10N2O
Molecular Weight	162.1885
SMILES	N#CC1=CC(N)=CC=C1OCC
Synonyms	5-amino-2-ethoxybenzonitrile, 1020046-39-2, 5-amino-2-ethoxybenzenecarbonitrile, SCHEMBL17101854, CTK4A0545, DTXSID40649230, Benzonitrile, 5-amino-2-ethoxy-, RIPHVNUYRKOROW-UHFFFAOYSA-N, ALBB-004941, 7518AC, MFCD10686562, SBB019179, STK360708, ZINC14988638, AKOS000321531, MCULE-4165562841, 5-Amino-2-ethoxybenzonitrile, AldrichCPR, AJ-66653, ST4147423, FT-0679044, Y-6342, I01-15808, C9H10N2O,

Complexity	184
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	2
Topological Polar Surface Area	59A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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