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Molecule
ID:55049
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₁₀H₁₀ClNO
Molecular Mass
195.6455
Exact Mass
195.04509163
Charge
0
InChI
InChI=1S/C10H9NO.ClH/c11-9-5-6-10(12)8-4-2-1-3-7(8)9;/h1-6,12H,11H2;1H
InChIKey
FDBQTRARWCKEJY-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(c2c1cccc2)N.Cl
Isomeric Smiles
Oc1ccc(c2c1cccc2)N.Cl
Calculated Properties
JChem
Acid pKa
10.016674
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.6846268
LogD (pH = 7.4)
1.8268456
Log P
1.8302313
Molar Refractivity
49.1895
Polarizability
19.63961
Polar Surface Area
46.25
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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General Information
Calculated Properties
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RDKit
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JChem
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Academic Data
Names and Identifiers
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IUPAC Traditional name
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IUPAC name
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Synonyms
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Safety Information
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Physical Property
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Product Information
Related Proteins
Molecular Spectra
Molecule Details
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Sigma Aldrich
References
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PubChem Literature
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From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
OR30442
Matrix Scientific
060222
Sigma Aldrich
133485
Enamine
EN300-14794
Bide Pharmatech
BD11763
Alfa Aesar
B23978
Academic Data
PubChem
2723858
Names and Identifiers
IUPAC Traditional name
4-amino-1-naphthol hydrochloride
IUPAC name
4-aminonaphthalen-1-ol hydrochloride
Synonyms
4-Amino-1-naphthol hydrochloride
4-Amino-1-hydroxynaphthalene hydrochloride
4-Amino-1-naphthol hydrochloride 90%
4-氨基-1-萘酚 盐酸盐
4-Amino-1-naphthol hydrochloride
4-氨基-1-萘酚盐酸盐
4-Hydroxy-1-naphthylamine hydrochloride
4-Aminonaphthalen-1-ol hydrochloride
Registration numbers
EC Number
227-727-8
PubChem SID
24848111
162059812
CAS Number
5959-56-8
MDL Number
MFCD00012562
PubChem CID
2723858
Molecule Details
Sigma Aldrich
133485
Packaging
25 g in poly bottle
5 g in glass bottle
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
•
EC Number
•
PubChem SID
•
CAS Number
•
MDL Number
•
PubChem CID
Properties
Safety Information
TSCA Listed
false
Source
是
Source
MSDS Link
Download link
Source
Download link
Source
Storage Warning
IRRITANT
Source
Irritant
Source
Hygroscopic
Source
Warning
Source
Irritant (Xi)
36/37/38
Source
P261
-
P305+P351+P338
Source
P261
-
P305+P351+P338
-
P302+P352
-
P321
-
P405
-P501A
Source
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
H315
-
H319
-
H335
Source
dust mask type N95 (US), Eyeshields, Gloves
Source
QL3342000
Source
26
-
37/39
Source
26
-
37
Source
3
Source
Physical Property
273°C
Source
273 °C (dec.)(lit.)
Source
264 - 266°C
Source
ca 272°C dec.
Source
1.422
Source
Product Information
90%
Source
95%
Source
95+%
Source
tech. 90%
Source
technical grade
Source
H2NC10H6OH · HCl
Source
HCl
Source
Source
Source
GHS Signal Word
European Hazard Symbols
Risk Statements
GHS Precautionary statements
GHS Pictograms
GHS Hazard statements
Personal Protective Equipment
RTECS
Safety Statements
German water hazard class
Melting Point
Hydrophobicity(logP)
Purity
Grade
Linear Formula
Salt Data