bis(2-chloroethylphosphonic acid);1,1-dimethylhydrazine

C6H20Cl2N2O6P2 — CID 13294663

IUPACbis(2-chloroethylphosphonic acid);1,1-dimethylhydrazine
SMILESCN(C)N.O=P(O)(O)CCCl.O=P(O)(O)CCCl
InChIInChI=1S/2C2H6ClO3P.C2H8N2/c2*3-1-2-7(4,5)6;1-4(2)3/h2*1-2H2,(H2,4,5,6);3H2,1-2H3
InChIKeyQSKVOYFLUVGXCS-UHFFFAOYSA-N
MW349.09 g/mol
LogP0.23
Rot. Bonds4

About bis(2-chloroethylphosphonic acid);1,1-dimethylhydrazine

bis(2-chloroethylphosphonic acid);1,1-dimethylhydrazine (PubChem CID 13294663) has the molecular formula C6H20Cl2N2O6P2 and a molecular weight of 349.09 g/mol. Its IUPAC name is bis(2-chloroethylphosphonic acid);1,1-dimethylhydrazine.

Molecular Properties

Compound Namebis(2-chloroethylphosphonic acid);1,1-dimethylhydrazine
PubChem CID13294663
Molecular FormulaC6H20Cl2N2O6P2
Molecular Weight349.09 g/mol
Exact Mass348.02
IUPAC Namebis(2-chloroethylphosphonic acid);1,1-dimethylhydrazine
SMILESCN(C)N.O=P(O)(O)CCCl.O=P(O)(O)CCCl
InChIInChI=1S/2C2H6ClO3P.C2H8N2/c2*3-1-2-7(4,5)6;1-4(2)3/h2*1-2H2,(H2,4,5,6);3H2,1-2H3
InChIKeyQSKVOYFLUVGXCS-UHFFFAOYSA-N
XLogP0.23
TPSA144.32 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.09
LogP ≤ 50.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-[methyl-[2-[methyl(2-phosphonoethyl)amino]ethyl]amino]ethylphosphonic acid
CID 23422673
2-chloroethanamine;ethylphosphonic acid
CID 87993583
2-chloroethyl-N-methylphosphonamidic acid;hydrochloride
CID 88819662
N-[2-chloroethyl(dimethylamino)phosphoryl]-N-methylmethanamine
CID 122163916
2-chloroethylphosphonic acid;tris(butylsulfanyl)phosphane
CID 138469903
aminomethylphosphonic acid;azane
CID 173452353
azane;pentylphosphonic acid
CID 173073704
ethane-1,2-diamine;4-phosphonobutylphosphonic acid
CID 18320900
5-phosphonopentylphosphonic acid
CID 2773804
amino(dimethylamino)phosphinic acid
CID 14226794
sodium;2-chloroethylphosphonic acid;1,3-thiazol-2-amine;chlorate
CID 24848769
[(2R)-2-aminopropyl]phosphonic acid
CID 92524852

Frequently Asked Questions

What is the IUPAC name of bis(2-chloroethylphosphonic acid);1,1-dimethylhydrazine?
The IUPAC name of bis(2-chloroethylphosphonic acid);1,1-dimethylhydrazine (CID 13294663) is bis(2-chloroethylphosphonic acid);1,1-dimethylhydrazine.
What is the SMILES notation for bis(2-chloroethylphosphonic acid);1,1-dimethylhydrazine?
The canonical SMILES for bis(2-chloroethylphosphonic acid);1,1-dimethylhydrazine is CN(C)N.O=P(O)(O)CCCl.O=P(O)(O)CCCl.
What is the InChIKey of bis(2-chloroethylphosphonic acid);1,1-dimethylhydrazine?
The InChIKey is QSKVOYFLUVGXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H6ClO3P.C2H8N2/c2*3-1-2-7(4,5)6;1-4(2)3/h2*1-2H2,(H2,4,5,6);3H2,1-2H3.
What are the key properties of bis(2-chloroethylphosphonic acid);1,1-dimethylhydrazine?
bis(2-chloroethylphosphonic acid);1,1-dimethylhydrazine has a molecular weight of 349.09 g/mol, XLogP of 0.23, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-chloroethylphosphonic acid);1,1-dimethylhydrazine is sourced from PubChem (CID 13294663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).