2-(4-Chlorophenyl)-4-(dimethylamino)-2-(2-(dimethylamino)ethyl)butanenitrile

CAS No. 1246816-57-8
Cat. No. CS-0539680
Molecule weight293.83
Purity≥98%
MDL No.MFCD16293779

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2-(4-Chlorophenyl)-4-(dimethylamino)-2-(2-(dimethylamino)ethyl)butanenitrile|CS-0539680

Structure of 1246816-57-8

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General Information

CAS No. 1246816-57-8
Cat. No. CS-0539680
Purity ≥98%
MDL No. MFCD16293779
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₆H₂₄ClN₃
Molecular Weight 293.83
Synonym(s) α,α-Bis[2-(dimethylamino)ethyl]-4-chlorophenylacetonitrile
SMILES CN(C)CCC(CCN(C)C)(C#N)C1=CC=C(C=C1)Cl

Description

5-Methylquinoxaline has been identified as one of the key volatile aroma compounds in roasted almonds{170] and roasted coffee.

Safety Information

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GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 2811
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H301-H315-H319-H336
Precautionary Statements : P261-P264-P280-P501

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Computational Chemistry Data

TPSA 30.27
LogP 3.00478
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 7

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-(4-Chlorophenyl)-4-(dimethylamino)-2-(2-(dimethylamino)ethyl)butanenitrile

CAS No. 1246816-57-8

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