AG003KKG

94-21-3 | N-Methyl-N-cyanoethyl-p-aminobenzaldehyde

AG003KKG

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CAS Number	94-21-3
Catalog Number	AG003KKG(AGN-PC-0ONU08)
Chemical Name	N-Methyl-N-cyanoethyl-p-aminobenzaldehyde
EC Number	202-315-0
IUPAC Name	3-(4-formyl-N-methylanilino)propanenitrile
InChI	InChI=1S/C11H12N2O/c1-13(8-2-7-12)11-5-3-10(9-14)4-6-11/h3-6,9H,2,8H2,1H3
InChI Key	DNRTTXXWWAKULZ-UHFFFAOYSA-N
MDL Number	MFCD00021067
Molecular Formula	C11H12N2O
Molecular Weight	188.2258
SMILES	C(=O)C1=CC=C(C=C1)CNCCC#N
Synonyms	94-21-3, 4-[(2-Cyanoethyl)methylamino]benzaldehyde, 3-((4-Formylphenyl)(methyl)amino)propanenitrile, 4-((2-Cyanoethyl)methylamino)benzaldehyde, 4-[N-METHYL-N-(CYANOETHYL)]AMINOBENZALDEHYDE, N-Methyl-N-cyanoethyl-p-amino benzaldehyde, DNRTTXXWWAKULZ-UHFFFAOYSA-N, 3-[(4-Formylphenyl)(Methyl)Amino]Propanenitrile, Propanenitrile, 3-[(4-formylphenyl)methylamino]-, 3-[(4-Formylphenyl)methylamino]propiononitrile, Propanenitrile, 3-((4-formylphenyl)methylamino)-, 3-[(4-formylphenyl)methylamino]propanenitrile, 3-((4-Formylphenyl)methylamino)propiononitrile, EINECS 202-315-0, ACMC-20amr0, AC1Q3XFX, AC1Q4S9R, SCHEMBL538121, CTK5H5828, AC1L2628, ZINC1848488, GEO-02609, KM3263, MFCD00021067, SBB061674, AKOS000260105, MCULE-8714929658, RL05918, 4-formyl-N-methyl-N-2-cyanoethylaniline, NCGC00184560-01, NCGC00184560-02, NCGC00184560-03, AJ-31998, AN-42680, AS-13548, CJ-30379, I651, 4-[Methyl(2-cyanoethyl)amino]benzaldehyde, 3-(4-formyl-N-methylanilino)propanenitrile, TC-169155, 3-(4-formyl-N-methyl-anilino)propanenitrile, 3-[4-Formyl(methyl)anilino]propanenitrile #, FT-0631475, ST51047667, 3-[(4-Formylphenyl)-methylamino]propionitrile, 4-[(2-Cyanoethyl)methylamino]benzaldehyde, 98%, 3-((4-formylphenyl)(methyl)amino)-propanenitrile, W-109349, P-IN-(2-CYANOETHYL)-METHYLAMINO)-BENZALDEHYDE, PARETHOXYCAINE, C11H12N2O, CID66744, AR-1F5392, C11-H12-N2-O, 4-(n-Methyl-n-cyanoethyl)amino benzaldehyde, 3-[(4-formylphenyl)methylamino]propiononitril, Propanonitrilo, 3-[(4-formilfenil) metilamino]-, 99769-53-6,

Complexity	223
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	188.095g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	188.23g/mol
Monoisotopic Mass	188.095g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	44.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number