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118-44-5 molecular structure
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N-ethylnaphthalen-1-amine

ChemBase ID: 146116
Molecular Formular: C12H13N
Molecular Mass: 171.23832
Monoisotopic Mass: 171.10479942
SMILES and InChIs

SMILES:
CCNc1cccc2c1cccc2
Canonical SMILES:
CCNc1cccc2c1cccc2
InChI:
InChI=1S/C12H13N/c1-2-13-12-9-5-7-10-6-3-4-8-11(10)12/h3-9,13H,2H2,1H3
InChIKey:
KDFFXYVOTKKBDI-UHFFFAOYSA-N

Cite this record

CBID:146116 http://www.chembase.cn/molecule-146116.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-ethylnaphthalen-1-amine
IUPAC Traditional name
1-naphthalenamine, N-ethyl-
Synonyms
N-(1-Naphthyl)ethylamine
α-Ethylaminonaphthalene
N-Ethyl-1-naphthylamine
α-乙基氨基萘
N-乙基-1-萘胺
CAS Number
118-44-5
EC Number
204-250-3
MDL Number
MFCD00003880
Beilstein Number
2207404
PubChem SID
24845752
162240315
24846586
24845754
PubChem CID
67043

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 67043 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.7561076  LogD (pH = 7.4) 2.7918336 
Log P 2.7923086  Molar Refractivity 57.4506 cm3
Polarizability 22.819088 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
175-176 °C/15 mmHg(lit.) expand Show data source
175-176°C/15mm expand Show data source
Flash Point
113 °C expand Show data source
128°C(262°F) expand Show data source
235.4 °F expand Show data source
Density
1.065 expand Show data source
1.065 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.6440 expand Show data source
n20/D 1.644(lit.) expand Show data source
n20/D 1.645 expand Show data source
European Hazard Symbols
X 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
2 expand Show data source
Risk Statements
20/21/22 expand Show data source
Safety Statements
36/37 expand Show data source
9-23-36/37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS07 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H301-H311-H332 expand Show data source
H302-H312-H332-H400 expand Show data source
GHS Precautionary statements
P261-P301+P310-P361-P302+P352-P405-P501A expand Show data source
P273-P280 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
~85% (GC) expand Show data source
≥98.0% (GC) expand Show data source
98% expand Show data source
Grade
for fluorescence expand Show data source
purum expand Show data source
technical expand Show data source
Linear Formula
C10H7NHC2H5 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 102709 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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