[2-(2-butoxyethoxymethyl)-4-nitrophenyl]hydrazine

C13H21N3O4 — CID 62244516

IUPAC[2-(2-butoxyethoxymethyl)-4-nitrophenyl]hydrazine
SMILESCCCCOCCOCc1cc([N+](=O)[O-])ccc1NN
InChIInChI=1S/C13H21N3O4/c1-2-3-6-19-7-8-20-10-11-9-12(16(17)18)4-5-13(11)15-14/h4-5,9,15H,2-3,6-8,10,14H2,1H3
InChIKeyRSTOEHHFHPJYER-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.21
Rot. Bonds10

About [2-(2-butoxyethoxymethyl)-4-nitrophenyl]hydrazine

[2-(2-butoxyethoxymethyl)-4-nitrophenyl]hydrazine (PubChem CID 62244516) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is [2-(2-butoxyethoxymethyl)-4-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[2-(2-butoxyethoxymethyl)-4-nitrophenyl]hydrazine
PubChem CID62244516
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name[2-(2-butoxyethoxymethyl)-4-nitrophenyl]hydrazine
SMILESCCCCOCCOCc1cc([N+](=O)[O-])ccc1NN
InChIInChI=1S/C13H21N3O4/c1-2-3-6-19-7-8-20-10-11-9-12(16(17)18)4-5-13(11)15-14/h4-5,9,15H,2-3,6-8,10,14H2,1H3
InChIKeyRSTOEHHFHPJYER-UHFFFAOYSA-N
XLogP2.21
TPSA99.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-nitro-2-(propoxymethyl)aniline
CID 62195376
2-(butoxymethyl)-1-chloro-4-nitrobenzene
CID 43267660
2-(butoxymethyl)-4-nitrophenol
CID 177163753
[4-nitro-2-(octan-2-yloxymethyl)phenyl]hydrazine
CID 62244153
2-(butoxymethyl)-4-nitrophenol;methanethiol
CID 177163763
N-methyl-2-(4-methylpentoxymethyl)-4-nitroaniline
CID 55044650
2-hydrazinyl-5-nitro-N-(3-propoxypropyl)benzamide
CID 82941980
N-methyl-2-[2-(2-methylpropoxy)ethoxymethyl]-4-nitroaniline
CID 106449247
2-[2-(2-butoxyethoxy)ethoxy]-5-nitroaniline
CID 70583822
[4-(hexoxymethyl)-2-nitrophenyl]hydrazine
CID 62245077
N-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 62244217
[2-[(3-fluoro-4-methylphenoxy)methyl]-4-nitrophenyl]hydrazine
CID 107170564

Frequently Asked Questions

What is the IUPAC name of [2-(2-butoxyethoxymethyl)-4-nitrophenyl]hydrazine?
The IUPAC name of [2-(2-butoxyethoxymethyl)-4-nitrophenyl]hydrazine (CID 62244516) is [2-(2-butoxyethoxymethyl)-4-nitrophenyl]hydrazine.
What is the SMILES notation for [2-(2-butoxyethoxymethyl)-4-nitrophenyl]hydrazine?
The canonical SMILES for [2-(2-butoxyethoxymethyl)-4-nitrophenyl]hydrazine is CCCCOCCOCc1cc([N+](=O)[O-])ccc1NN.
What is the InChIKey of [2-(2-butoxyethoxymethyl)-4-nitrophenyl]hydrazine?
The InChIKey is RSTOEHHFHPJYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-2-3-6-19-7-8-20-10-11-9-12(16(17)18)4-5-13(11)15-14/h4-5,9,15H,2-3,6-8,10,14H2,1H3.
What are the key properties of [2-(2-butoxyethoxymethyl)-4-nitrophenyl]hydrazine?
[2-(2-butoxyethoxymethyl)-4-nitrophenyl]hydrazine has a molecular weight of 283.33 g/mol, XLogP of 2.21, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-butoxyethoxymethyl)-4-nitrophenyl]hydrazine is sourced from PubChem (CID 62244516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).