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24425-40-9 molecular structure
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2,3-dihydro-1H-inden-5-amine

ChemBase ID: 75233
Molecular Formular: C9H11N
Molecular Mass: 133.19034
Monoisotopic Mass: 133.08914936
SMILES and InChIs

SMILES:
Nc1ccc2c(c1)CCC2
Canonical SMILES:
Nc1ccc2c(c1)CCC2
InChI:
InChI=1S/C9H11N/c10-9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3,10H2
InChIKey:
LEWZOBYWGWKNCK-UHFFFAOYSA-N

Cite this record

CBID:75233 http://www.chembase.cn/molecule-75233.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3-dihydro-1H-inden-5-amine
IUPAC Traditional name
indan-5-ylamine
Synonyms
Indan-5-amine
5-Aminoindane
5-Indanamine
5-Aminoindan
5-Aminoindane
2,3-dihydro-1H-inden-5-amine
5-AMINOHYDRINDENE
5-茚胺
5-氨基茚满
5-氨基茚烷
CAS Number
24425-40-9
EC Number
246-241-7
MDL Number
MFCD00003803
Beilstein Number
2082278
PubChem SID
24847982
162040151
PubChem CID
90496

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.0374515  LogD (pH = 7.4) 2.1503556 
Log P 2.1520054  Molar Refractivity 43.6396 cm3
Polarizability 16.130657 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)
Melting Point
32-37°C expand Show data source
34 - 36°C expand Show data source
34-36 °C(lit.) expand Show data source
Boiling Point
247-249 °C/745 mmHg(lit.) expand Show data source
248-250°C 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
Hydrophobicity(logP)
1.928 expand Show data source
Storage Warning
Irritant expand Show data source
European Hazard Symbols
X expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
UN2811 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
6.1 expand Show data source
Packing Group
III expand Show data source
Risk Statements
20/21/22 expand Show data source
Safety Statements
36 expand Show data source
36/37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H312-H332 expand Show data source
H311-H302-H332 expand Show data source
GHS Precautionary statements
P280 expand Show data source
P280H-P309-P310 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
95% expand Show data source
97% expand Show data source
98% expand Show data source
98+% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C9H11N expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05215461 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 130877 external link
Packaging
10 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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