1,1-bis(2-chloroethyl)-2-phenylhydrazine;hydrochloride

C10H15Cl3N2 — CID 158056719

IUPAC1,1-bis(2-chloroethyl)-2-phenylhydrazine;hydrochloride
SMILESCl.ClCCN(CCCl)Nc1ccccc1
InChIInChI=1S/C10H14Cl2N2.ClH/c11-6-8-14(9-7-12)13-10-4-2-1-3-5-10;/h1-5,13H,6-9H2;1H
InChIKeyRBIIFPDXCIMCCQ-UHFFFAOYSA-N
MW269.60 g/mol
LogP3.21
Rot. Bonds6

About 1,1-bis(2-chloroethyl)-2-phenylhydrazine;hydrochloride

1,1-bis(2-chloroethyl)-2-phenylhydrazine;hydrochloride (PubChem CID 158056719) has the molecular formula C10H15Cl3N2 and a molecular weight of 269.60 g/mol. Its IUPAC name is 1,1-bis(2-chloroethyl)-2-phenylhydrazine;hydrochloride.

Molecular Properties

Compound Name1,1-bis(2-chloroethyl)-2-phenylhydrazine;hydrochloride
PubChem CID158056719
Molecular FormulaC10H15Cl3N2
Molecular Weight269.60 g/mol
Exact Mass268.03
IUPAC Name1,1-bis(2-chloroethyl)-2-phenylhydrazine;hydrochloride
SMILESCl.ClCCN(CCCl)Nc1ccccc1
InChIInChI=1S/C10H14Cl2N2.ClH/c11-6-8-14(9-7-12)13-10-4-2-1-3-5-10;/h1-5,13H,6-9H2;1H
InChIKeyRBIIFPDXCIMCCQ-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.60
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 14228134
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3-[anilino(ethyl)amino]propan-1-ol
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1-[anilino(2-hydroxypropyl)amino]propan-2-ol
CID 118924371
N-anilino-N-ethylhydroxylamine
CID 54381166
1-fluoro-2-phenyl-1-prop-2-enylhydrazine;hydrochloride
CID 174494914
1,1-dihydroxy-2-phenylhydrazine
CID 154285803
N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine
CID 5928
N,N-bis(2-chloroethyl)-1-phenylethanamine;hydrochloride
CID 138396559
N,N'-diphenylpropane-1,3-diamine;hydrochloride
CID 68721632
N,N'-dibenzyl-N,N'-bis(2-chloroethyl)hexane-1,6-diamine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2-chloroethyl)-2-phenylhydrazine;hydrochloride?
The IUPAC name of 1,1-bis(2-chloroethyl)-2-phenylhydrazine;hydrochloride (CID 158056719) is 1,1-bis(2-chloroethyl)-2-phenylhydrazine;hydrochloride.
What is the SMILES notation for 1,1-bis(2-chloroethyl)-2-phenylhydrazine;hydrochloride?
The canonical SMILES for 1,1-bis(2-chloroethyl)-2-phenylhydrazine;hydrochloride is Cl.ClCCN(CCCl)Nc1ccccc1.
What is the InChIKey of 1,1-bis(2-chloroethyl)-2-phenylhydrazine;hydrochloride?
The InChIKey is RBIIFPDXCIMCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2.ClH/c11-6-8-14(9-7-12)13-10-4-2-1-3-5-10;/h1-5,13H,6-9H2;1H.
What are the key properties of 1,1-bis(2-chloroethyl)-2-phenylhydrazine;hydrochloride?
1,1-bis(2-chloroethyl)-2-phenylhydrazine;hydrochloride has a molecular weight of 269.60 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2-chloroethyl)-2-phenylhydrazine;hydrochloride is sourced from PubChem (CID 158056719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).