4-(3-phosphonopropyl)piperazine-2-carboxylic acid

CAS: 100828-16-8

Molecular Formula	`C8H17N2O5P`
Molecular Weight	252.2 g/mol
LogP	-6.8
Topological Polar Surface Area	110.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	7
Rotatable Bonds	5
Exact Mass	252.08751
Heavy Atoms	16
Complexity	292.0

Chemical Identifiers

CAS Number	100828-16-8
SMILES	`C1CN(CC(N1)C(=O)O)CCCP(=O)(O)O`
InChIKey	`CUVGUPIVTLGRGI-UHFFFAOYSA-N`

📖 Product Overview

4-(3-phosphonopropyl)piperazine-2-carboxylic acid (CAS: 100828-16-8) is a chemical compound with molecular formula C8H17N2O5P and molecular weight 252.2 g/mol. Its IUPAC systematic name is 4-(3-phosphonopropyl)piperazine-2-carboxylic acid. LogP -6.8 Topological Polar Surface Area 110.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 7 Rotatable Bonds 5 Exact Mass 252.08751 Heavy Atoms 16 Complexity 292.0 InChI Key: CUVGUPIVTLGRGI-UHFFFAOYSA-N. SMILES: C1CN(CC(N1)C(=O)O)CCCP(=O)(O)O.

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