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84-89-9 molecular structure
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5-aminonaphthalene-1-sulfonic acid

ChemBase ID: 4828
Molecular Formular: C10H9NO3S
Molecular Mass: 223.24836
Monoisotopic Mass: 223.03031415
SMILES and InChIs

SMILES:
c1ccc2c(c1S(=O)(=O)O)cccc2N
Canonical SMILES:
Nc1cccc2c1cccc2S(=O)(=O)O
InChI:
InChI=1S/C10H9NO3S/c11-9-5-1-4-8-7(9)3-2-6-10(8)15(12,13)14/h1-6H,11H2,(H,12,13,14)
InChIKey:
DQNAQOYOSRJXFZ-UHFFFAOYSA-N

Cite this record

CBID:4828 http://www.chembase.cn/molecule-4828.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-aminonaphthalene-1-sulfonic acid
IUPAC Traditional name
5-aminonaphthalene-1-sulfonic acid
Synonyms
5-aminonaphthalene-1-sulfonic acid
1-NAPHTHYLAMINE-5-SULFONIC ACID
Laurent's acid
5-Aminonaphthalene-1-sulfonic acid
1-Naphthylamine-5-sulfonic acid
Laurent’s acid
5-Amino-1-naphthalenesulfonic acid
5-amino-1-Naphthalenesulfonic acid
5-氨基萘-1-磺酸
5-氨基-1-萘磺酸
Laurent 酸
1-萘胺-5-磺酸
CAS Number
84-89-9
EC Number
201-571-0
MDL Number
MFCD00014315
Beilstein Number
2214149
Merck Index
146404
PubChem SID
99443647
24886128
160968260
PubChem CID
6793

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa -1.9353927  H Acceptors
H Donor LogD (pH = 5.5) -0.60924953 
LogD (pH = 7.4) -1.0516539  Log P 1.0918306 
Molar Refractivity 57.8311 cm3 Polarizability 23.542414 Å3
Polar Surface Area 80.39 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
Log P -0.92  LOG S -2.29 
Solubility (Water) 1.14e+00 g/l 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
>300°C expand Show data source
Hydrophobicity(logP)
-0.698 expand Show data source
RTECS
QK1270500 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
2585 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
Hazard Class
8 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
20/21/22-34 expand Show data source
36/37/38 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H312-H314-H332 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P280G-P305+P351+P338 expand Show data source
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 2585 8/PG 3 expand Show data source
Purity
≥90% (T) expand Show data source
95% expand Show data source
98% expand Show data source
tech. 90% expand Show data source
Grade
technical expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C10H9NO3S expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals DrugBank DrugBank Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05211412 external link
MP Biomedicals Rare Chemical collection
DrugBank - DB07176 external link
Drug information: experimental
Sigma Aldrich - 70800 external link
Packaging
100 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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