3-Aminonaphthoquinone
Basic information
- CAS
2348-81-4- Standard SMILES
NC1=CC(=O)c2ccccc2C1=O- InChIKey
CYCRZLRIJWDWCM-UHFFFAOYSA-N- Molecular formula
- C10H7NO2
- Average molar mass
- 173.17 g/mol
- Monoisotopic mass
- 173.04767847
Overview
from the stem bark of Goniothalamus marcanii; structure in first source
Names & identifiers
- Preferred name
- 3-Aminonaphthoquinone
- IUPAC
- 2-aminonaphthalene-1,4-dione
- English name
- 2-aminonaphthalene-1,4-dione
- Molecular formula
- C10H7NO2
- Molecular weight
- 173.17
Names & synonyms
3-aminonaphthoquinoneRefChem:4629432-aminonaphthalene-1,4-dione2348-81-42-Amino-1,4-naphthoquinone1,4-Naphthalenedione, 2-amino-2-AminonaphthoquinoneMFCD007959861,4-Naphthoquinone, 2-amino-7GHA3V7I78NSC-7936KSC-293-036B
Show more names
2-aminonaphthalene-12-Amino-1,4-naphthaquinone
2-amino-1,4-dihydronaphthalene-1,4-dioneUNII-7GHA3V7I78Amino-naphtochinonNSC7936NSC 7936Amino-1,4-naphthoquinoneAmino-naphtochinon [German]3-amino-1,4-naphthoquinone
Database identifiers
- CAS
2348-81-4- PubChem CID
- 72909
- DTXSID
DTXSID6062337- ChEMBL
CHEMBL415711- UNII
- 7GHA3V7I78
- EC Number
- 141-741-0
- Nikkaji
- J80.456H
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 293
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
LogP1.77
Physicochemical properties
- Melting point
- 207 °C · 207 °C
- Boiling point
- 329.2 · 329.2±42.0 °C(Predicted)
- Density
- 1.351 · 1.351±0.06 g/cm3(Predicted)
- pka
- 1.99 · 1.99±0.20(Predicted)
- FDA UNII
- 7 GHA3V7I78 · 7GHA3V7I78
- EPA Substance Registry System
- 1 · 1,4-Naphthalenedione, 2-amino- (2348-81-4)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
General Manufacturing Information1,4-Naphthalenedione, 2-amino-: INACTIVE
Suppliers
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Related reactions
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Compound notes
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