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

C13H21N3O3 — CID 62245077

IUPAC[4-(hexoxymethyl)-2-nitrophenyl]hydrazine
SMILESCCCCCCOCc1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C13H21N3O3/c1-2-3-4-5-8-19-10-11-6-7-12(15-14)13(9-11)16(17)18/h6-7,9,15H,2-5,8,10,14H2,1H3
InChIKeyDMRBPJXZDNGAAQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.98
Rot. Bonds9

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

[4-(hexoxymethyl)-2-nitrophenyl]hydrazine (PubChem CID 62245077) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is [4-(hexoxymethyl)-2-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[4-(hexoxymethyl)-2-nitrophenyl]hydrazine
PubChem CID62245077
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name[4-(hexoxymethyl)-2-nitrophenyl]hydrazine
SMILESCCCCCCOCc1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C13H21N3O3/c1-2-3-4-5-8-19-10-11-6-7-12(15-14)13(9-11)16(17)18/h6-7,9,15H,2-5,8,10,14H2,1H3
InChIKeyDMRBPJXZDNGAAQ-UHFFFAOYSA-N
XLogP2.98
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[4-(3,3-dimethylbutoxymethyl)-2-nitrophenyl]hydrazine
CID 66225464
[2-nitro-4-(octan-2-yloxymethyl)phenyl]hydrazine
CID 62244152
1-bromo-4-(heptoxymethyl)-2-nitrobenzene
CID 113335357
[2-nitro-4-(2-propan-2-yloxyethoxymethyl)phenyl]hydrazine
CID 62245442
4-(butoxymethyl)-2-nitroaniline
CID 62195712
[2-nitro-4-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]hydrazine
CID 79589871
4-(2-ethoxyethoxymethyl)-2-nitro-N-propylaniline
CID 62195676
[4-[(3-bromophenyl)methoxymethyl]-2-nitrophenyl]hydrazine
CID 82805450
4-[3-(2-methoxyethoxy)propoxymethyl]-N-methyl-2-nitroaniline
CID 103405420
[2-nitro-4-(oxan-2-ylmethoxymethyl)phenyl]hydrazine
CID 62244881
N-ethyl-4-(2-methoxyethoxymethyl)-2-nitroaniline
CID 62194607
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-propylpropan-1-amine
CID 55051188

Frequently Asked Questions

What is the IUPAC name of [4-(hexoxymethyl)-2-nitrophenyl]hydrazine?
The IUPAC name of [4-(hexoxymethyl)-2-nitrophenyl]hydrazine (CID 62245077) is [4-(hexoxymethyl)-2-nitrophenyl]hydrazine.
What is the SMILES notation for [4-(hexoxymethyl)-2-nitrophenyl]hydrazine?
The canonical SMILES for [4-(hexoxymethyl)-2-nitrophenyl]hydrazine is CCCCCCOCc1ccc(NN)c([N+](=O)[O-])c1.
What is the InChIKey of [4-(hexoxymethyl)-2-nitrophenyl]hydrazine?
The InChIKey is DMRBPJXZDNGAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-2-3-4-5-8-19-10-11-6-7-12(15-14)13(9-11)16(17)18/h6-7,9,15H,2-5,8,10,14H2,1H3.
What are the key properties of [4-(hexoxymethyl)-2-nitrophenyl]hydrazine?
[4-(hexoxymethyl)-2-nitrophenyl]hydrazine has a molecular weight of 267.33 g/mol, XLogP of 2.98, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hexoxymethyl)-2-nitrophenyl]hydrazine is sourced from PubChem (CID 62245077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).