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2217-40-5 molecular structure
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1,2,3,4-tetrahydronaphthalen-1-amine

ChemBase ID: 151644
Molecular Formular: C10H13N
Molecular Mass: 147.21692
Monoisotopic Mass: 147.10479942
SMILES and InChIs

SMILES:
c1ccc2c(c1)CCCC2N
Canonical SMILES:
NC1CCCc2c1cccc2
InChI:
InChI=1S/C10H13N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7,11H2
InChIKey:
JRZGPXSSNPTNMA-UHFFFAOYSA-N

Cite this record

CBID:151644 http://www.chembase.cn/molecule-151644.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2,3,4-tetrahydronaphthalen-1-amine
IUPAC Traditional name
1,2,3,4-tetrahydronaphthalen-1-amine
Synonyms
(±)-1,2,3,4-Tetrahydro-1-naphthylamine
1,2,3,4-Tetrahydro-1-naphthylamine
1,2,3,4-Tetrahydro-1-naphthylamine
(+/-)-1,2,3,4-四氢-1-萘胺
1,2,3,4-四氢-1-萘胺
CAS Number
2217-40-5
EC Number
218-712-7
MDL Number
MFCD00001740
PubChem SID
24854894
162245794
PubChem CID
18066

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.92047  LogD (pH = 7.4) -0.19281884 
Log P 2.0878072  Molar Refractivity 46.7132 cm3
Polarizability 18.460941 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)
Boiling Point
246-247 °C/714 mmHg(lit.) expand Show data source
246-247°C/714mm expand Show data source
Flash Point
>110°C(230°F) expand Show data source
113 °C expand Show data source
235.4 °F expand Show data source
Density
1.026 expand Show data source
1.026 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.5640 expand Show data source
n20/D 1.562(lit.) expand Show data source
Storage Warning
Air Sensitive expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
26-37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C10H13N expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 247820 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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