4,7-dimethoxy-1,3-benzodioxole-5,6-diamine;dihydrochloride

C9H14Cl2N2O4 — CID 163333120

IUPAC4,7-dimethoxy-1,3-benzodioxole-5,6-diamine;dihydrochloride
SMILESCOc1c(N)c(N)c(OC)c2c1OCO2.Cl.Cl
InChIInChI=1S/C9H12N2O4.2ClH/c1-12-6-4(10)5(11)7(13-2)9-8(6)14-3-15-9;;/h3,10-11H2,1-2H3;2*1H
InChIKeyAZUCCPIPBBZPHR-UHFFFAOYSA-N
MW285.13 g/mol
LogP1.44
Rot. Bonds2

About 4,7-dimethoxy-1,3-benzodioxole-5,6-diamine;dihydrochloride

4,7-dimethoxy-1,3-benzodioxole-5,6-diamine;dihydrochloride (PubChem CID 163333120) has the molecular formula C9H14Cl2N2O4 and a molecular weight of 285.13 g/mol. Its IUPAC name is 4,7-dimethoxy-1,3-benzodioxole-5,6-diamine;dihydrochloride.

Molecular Properties

Compound Name4,7-dimethoxy-1,3-benzodioxole-5,6-diamine;dihydrochloride
PubChem CID163333120
Molecular FormulaC9H14Cl2N2O4
Molecular Weight285.13 g/mol
Exact Mass284.03
IUPAC Name4,7-dimethoxy-1,3-benzodioxole-5,6-diamine;dihydrochloride
SMILESCOc1c(N)c(N)c(OC)c2c1OCO2.Cl.Cl
InChIInChI=1S/C9H12N2O4.2ClH/c1-12-6-4(10)5(11)7(13-2)9-8(6)14-3-15-9;;/h3,10-11H2,1-2H3;2*1H
InChIKeyAZUCCPIPBBZPHR-UHFFFAOYSA-N
XLogP1.44
TPSA88.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4,9-dimethoxybenzo[f][1,3]benzodioxole
CID 12558262
5,7-dibromo-4-methoxy-1,3-benzodioxole
CID 23272203
5-bromo-7-chloro-4-methoxy-1,3-benzodioxole
CID 23272201
(4-methoxy-1,3-benzodioxol-5-yl)methanamine
CID 21294011
4,5-dimethoxy-6-methyl-1,3-benzodioxole
CID 59720306
4,7-dimethoxy-5-[(E)-prop-1-enyl]-1,3-benzodioxole
CID 15559838
(20S,28R,70R,78S)-35,41,57,63-tetramethoxy-20,24,28,70,74,78,81,86-octamethyl-3,5,8,10,13,15,31,33,37,39,43,45,48,50,53,55,59,61,65,67-icosaoxanonadecacyclo[67.11.3.317,29.02,51.06,82.07,68.011,30.016,47.019,46.021,42.023,40.025,36.027,34.052,79.056,77.058,75.062,73.064,71.012,85]hexaoctaconta-1(80),2(51),6,11,16(47),17,19(46),21,23(40),25(36),26,29,34,41,52(79),56,58(75),62(73),63,68,71,76,82,84-tetracosaene
CID 100977299
2-(4-methoxy-1,3-benzodioxol-5-yl)ethanamine
CID 11127161
4,5-dimethoxy-1,3-dioxole
CID 141112983
4-(4-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine
CID 117337608
5-bromo-4-methoxy-[1,3]dioxolo[4,5-h]isoquinoline
CID 10989668
1-(4-methoxy-1,3-benzodioxol-5-yl)-2-methylpropan-2-amine
CID 117319983

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethoxy-1,3-benzodioxole-5,6-diamine;dihydrochloride?
The IUPAC name of 4,7-dimethoxy-1,3-benzodioxole-5,6-diamine;dihydrochloride (CID 163333120) is 4,7-dimethoxy-1,3-benzodioxole-5,6-diamine;dihydrochloride.
What is the SMILES notation for 4,7-dimethoxy-1,3-benzodioxole-5,6-diamine;dihydrochloride?
The canonical SMILES for 4,7-dimethoxy-1,3-benzodioxole-5,6-diamine;dihydrochloride is COc1c(N)c(N)c(OC)c2c1OCO2.Cl.Cl.
What is the InChIKey of 4,7-dimethoxy-1,3-benzodioxole-5,6-diamine;dihydrochloride?
The InChIKey is AZUCCPIPBBZPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4.2ClH/c1-12-6-4(10)5(11)7(13-2)9-8(6)14-3-15-9;;/h3,10-11H2,1-2H3;2*1H.
What are the key properties of 4,7-dimethoxy-1,3-benzodioxole-5,6-diamine;dihydrochloride?
4,7-dimethoxy-1,3-benzodioxole-5,6-diamine;dihydrochloride has a molecular weight of 285.13 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethoxy-1,3-benzodioxole-5,6-diamine;dihydrochloride is sourced from PubChem (CID 163333120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).