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118-46-7 molecular structure
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3-aminonaphthalen-2-ol

ChemBase ID: 58778
Molecular Formular: C10H9NO
Molecular Mass: 159.18456
Monoisotopic Mass: 159.06841391
SMILES and InChIs

SMILES:
c1ccc2c(c1)cc(c(c2)O)N
Canonical SMILES:
Nc1cc2ccccc2cc1O
InChI:
InChI=1S/C10H9NO/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6,12H,11H2
InChIKey:
ZHVPTERSBUMMHK-UHFFFAOYSA-N

Cite this record

CBID:58778 http://www.chembase.cn/molecule-58778.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-aminonaphthalen-2-ol
IUPAC Traditional name
3-aminonaphthalen-2-ol
Synonyms
7-Hydroxy-1-naphthylamine
8-Amino-2-naphthol
3-Amino-2-naphthol
3-Amino-2-naphthol
2-Amino-3-hydroxynaphthalene
3-Hydroxy-2-naphthylamine
8-氨基-2-萘酚
3-氨基-2-萘酚
CAS Number
118-46-7
5417-63-0
EC Number
204-252-4
226-519-4
MDL Number
MFCD00004031
MFCD00004113
PubChem SID
24850066
162063541
PubChem CID
79449

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.0920725  H Acceptors
H Donor LogD (pH = 5.5) 1.807376 
LogD (pH = 7.4) 1.8289973  Log P 1.8302313 
Molar Refractivity 49.1895 cm3 Polarizability 19.635359 Å3
Polar Surface Area 46.25 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
206-210°C expand Show data source
229-230 °C(lit.) expand Show data source
232-238°C expand Show data source
Storage Warning
Harmful/Irritant expand Show data source
IRRITANT expand Show data source
RTECS
QL3331000 expand Show data source
European Hazard Symbols
X expand Show data source
Irritant Irritant (Xi) expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
20/21/22-36/37/38-40 expand Show data source
22-36/37/38 expand Show data source
36/37/38 expand Show data source
Safety Statements
26-36/37 expand Show data source
26-36/37/39-45 expand Show data source
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H301-H315-H319-H335 expand Show data source
H302-H312-H315-H319-H332-H335-H351 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
97% expand Show data source
98% expand Show data source
Linear Formula
H2NC10H6OH expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 164267 external link
Packaging
1 g in glass bottle
5 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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