tert-Butyl 4-(3-cyano-4,6-dimethylpyridin-2-yl)-1,4-diazepane-1-carboxylate

Name: tert-Butyl 4-(3-cyano-4,6-dimethylpyridin-2-yl)-1,4-diazepane-1-carboxylate
Brand: ChemScene
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CAS No. 946385-36-0
Cat. No. CS-0127253
Purity≥98%
MDL No.MFCD09027912

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tert-Butyl 4-(3-cyano-4,6-dimethylpyridin-2-yl)-1,4-diazepane-1-carboxylate|CS-0127253

Structure of 946385-36-0

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General Information

CAS No. 946385-36-0
Cat. No. CS-0127253
Purity ≥98%
MDL No. MFCD09027912
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₈H₂₆N₄O₂
Molecular Weight 330.42
Synonym(s) 1H-1,4-Diazepine-1-carboxylic acid, 4-(3-cyano-4,6-dimethyl-2-pyridinyl)hexahydro-, 1,1-dimethylethyl ester
SMILES O=C(N1CCN(C2=NC(C)=CC(C)=C2C#N)CCC1)OC(C)(C)C

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 69.46
LogP 3.01732
H_Acceptors 5
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aliphatic heterocycle compounds Other aliphatic heterocycles compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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tert-Butyl 4-(3-cyano-4,6-dimethylpyridin-2-yl)-1,4-diazepane-1-carboxylate

CAS No. 946385-36-0

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