Alphate structure

Alphate

dimethyl [4-(methylamino)-4-oxobut-2-en-2-yl] phosphate

CAS: 2157-98-4
Molecular Formula C7H14NO5P
Molecular Weight 223.16 g/mol
LogP -0.2
Topological Polar Surface Area 73.9 A2
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 5
Exact Mass 223.06096
Heavy Atoms 14
Complexity 267.0

Chemical Identifiers

CAS Number 2157-98-4
SMILES CC(=CC(=O)NC)OP(=O)(OC)OC
InChIKey KRTSDMXIXPKRQR-UHFFFAOYSA-N

📖 Product Overview

Alphate (CAS: 2157-98-4) is a chemical compound with molecular formula C7H14NO5P and molecular weight 223.16 g/mol. Its IUPAC systematic name is dimethyl [4-(methylamino)-4-oxobut-2-en-2-yl] phosphate. LogP -0.2 Topological Polar Surface Area 73.9 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 5 Exact Mass 223.06096 Heavy Atoms 14 Complexity 267.0 InChI Key: KRTSDMXIXPKRQR-UHFFFAOYSA-N. SMILES: CC(=CC(=O)NC)OP(=O)(OC)OC.

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