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1198-27-2 molecular structure
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1-aminonaphthalen-2-ol hydrochloride

ChemBase ID: 70623
Molecular Formular: C10H10ClNO
Molecular Mass: 195.6455
Monoisotopic Mass: 195.04509163
SMILES and InChIs

SMILES:
c1(c(ccc2ccccc12)O)N.Cl
Canonical SMILES:
Oc1ccc2c(c1N)cccc2.Cl
InChI:
InChI=1S/C10H9NO.ClH/c11-10-8-4-2-1-3-7(8)5-6-9(10)12;/h1-6,12H,11H2;1H
InChIKey:
DEKREBCFNLUULC-UHFFFAOYSA-N

Cite this record

CBID:70623 http://www.chembase.cn/molecule-70623.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-aminonaphthalen-2-ol hydrochloride
IUPAC Traditional name
1-aminonaphthalen-2-ol hydrochloride
Synonyms
1-Aminonaphthalen-2-ol hydrochloride
1-Amino-2-naphthol hydrochloride
1-Amino-2-naphthol hydrochloride
2-Hydroxy-1-naphthylamine hydrochloride
1-氨基-2-萘酚 盐酸盐
1-氨基-2-萘酚盐酸盐
CAS Number
1198-27-2
EC Number
214-830-8
MDL Number
MFCD00012561
Beilstein Number
3699817
PubChem SID
24848110
162036338
PubChem CID
518469

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.127268  H Acceptors
H Donor LogD (pH = 5.5) 1.8109019 
LogD (pH = 7.4) 1.8291221  Log P 1.8302313 
Molar Refractivity 49.1895 cm3 Polarizability 19.637577 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
250 °C (dec.)(lit.) expand Show data source
250(dec.)°C expand Show data source
ca 276°C dec. expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
Light Sensitive expand Show data source
RTECS
QL3335000 expand Show data source
European Hazard Symbols
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
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
36/37/38-68 expand Show data source
Safety Statements
26-27-36/37/39 expand Show data source
26-36/37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H312-H315-H319-H332-H335-H351 expand Show data source
H341-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 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
90% expand Show data source
95+% expand Show data source
97% expand Show data source
Grade
technical grade expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
H2NC10H6OH · HCl expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05209780 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 133477 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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