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91-59-8 molecular structure
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naphthalen-2-amine

ChemBase ID: 70122
Molecular Formular: C10H9N
Molecular Mass: 143.18516
Monoisotopic Mass: 143.07349929
SMILES and InChIs

SMILES:
Nc1cc2c(cc1)cccc2
Canonical SMILES:
Nc1ccc2c(c1)cccc2
InChI:
InChI=1S/C10H9N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,11H2
InChIKey:
JBIJLHTVPXGSAM-UHFFFAOYSA-N

Cite this record

CBID:70122 http://www.chembase.cn/molecule-70122.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
naphthalen-2-amine
IUPAC Traditional name
β naphthylamine
Synonyms
naphthalen-2-amine
2-Naphthylamine
β-Naphthylamine
2-Naphthalenamine
2-Naphthylamine
2-Aminonaphthalene
2-Naphthylamine
2-aminoNaphthalene
β-氨基萘
2-氨基萘
2-萘胺
CAS Number
91-59-8
EC Number
202-080-4
MDL Number
MFCD00004112
Beilstein Number
3939429
PubChem SID
162035847
24897863
24869746
24867814
PubChem CID
7057
CHEBI ID
27878
CHEMBL
278164
Chemspider ID
6790
KEGG ID
C02227
Wikipedia Title
2-Naphthylamine

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.109933  LogD (pH = 7.4) 2.1334877 
Log P 2.1337967  Molar Refractivity 47.2086 cm3
Polarizability 19.12932 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Ethyl Acetate expand Show data source
Methanol expand Show data source
Apperance
Light Brown Solid expand Show data source
powder expand Show data source
Melting Point
102-104°C expand Show data source
111 - 113°C expand Show data source
111-113 °C(lit.) expand Show data source
Boiling Point
306 °C(lit.) expand Show data source
306°C expand Show data source
Density
1.061 g/cm3 expand Show data source
1.061 g/mL at 25 °C(lit.) expand Show data source
pKa
3.92 expand Show data source
Storage Condition
-20°C Freezer expand Show data source
Storage Warning
IRRITANT expand Show data source
RTECS
QM2100000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Toxic Toxic (T) expand Show data source
UN Number
1650 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
45-22-51/53 expand Show data source
Safety Statements
53-45-61 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H350-H411 expand Show data source
GHS Precautionary statements
P201-P273-P308 + P313 expand Show data source
Personal Protective Equipment
Eyeshields, 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 1650 6.1/PG 2 expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
98% expand Show data source
Grade
analytical standard expand Show data source
analytical standard, for environmental analysis expand Show data source
Certificate of Analysis
Download expand Show data source
Packaging
ampule of 100 mg expand Show data source
Linear Formula
C10H7NH2 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - N8381 external link
Biochem/physiol Actions
Environmental carcinogen; induces bladder cancer.
Sigma Aldrich - 31618 external link
Caution
Restricted to professional users. Attention - Avoid exposure - obtain special instructions before use.
Toronto Research Chemicals - N378010 external link
It is listed as a known human carcinogen. Used in manufacturing of dyes, as antioxidant in rubber.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • IARC Monographs, 4, 97 (1974)
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PATENTS

PATENTS

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INTERNET

INTERNET

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