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Molecule
ID:87167
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₉H₁₁N
Molecular Mass
133.19034
Exact Mass
133.08914936
Charge
0
InChI
InChI=1S/C9H11N/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6,10H2/t9-/m1/s1
InChIKey
XJEVHMGJSYVQBQ-SECBINFHSA-N
Canonic Smiles
N[C@@H]1CCc2c1cccc2
Isomeric Smiles
N[C@H]1c2ccccc2CC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.3644532
LogD (pH = 7.4)
-0.62883526
Log P
1.6432385
Molar Refractivity
42.1122
Polarizability
16.613792
Polar Surface Area
26.02
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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General Information
Calculated Properties
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RDKit
•
JChem
Data Source
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Academic Data
Names and Identifiers
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Synonyms
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IUPAC Traditional name
•
IUPAC name
Registration numbers
Properties
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Physical Property
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Safety Information
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Product Information
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Pharmacology Properties
Related Proteins
Molecular Spectra
Molecule Details
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Sigma Aldrich
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TRC
References
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PubChem Literature
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From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
OR30437
Sigma Aldrich
726737
445347
08233
TRC
A611715
Alfa Aesar
L19302
Enamine
EN300-89305
A&J Pharmtech
AJA-O39421
Academic Data
PubChem
2733933
Names and Identifiers
Synonyms
(1R)-(-)-1-Aminoindan 98%
(1R)-1-Amino-2,3-dihydro-1H-indene
TV 136
(R)-2,3-Dihydro-1H-inden-1-amine
[(1R)-2,3-Dihydro-1H-inden-1-yl]amine
(R)-(-)-1-Aminoindane
R-(-)-1-Aminoindane
(1R)-2,3-Dihydro-1H-inden-1-amine
(R)-1-Aminoindane, 90% ee
(R)-1-Indanylamine
(R)-(-)-1-氨基茚满
(R)-2,3-Dihydro-1-Indenamine
(R)-1-Aminoindan
(R)-(-)-1-Indanamine
(R)-(-)-1-茚胺
(R)-(-)-1-AMINOINDAN
(1R)-2,3-dihydro-1H-inden-1-amine
IUPAC Traditional name
(1R)-2,3-dihydro-1H-inden-1-amine
IUPAC name
(1R)-2,3-dihydro-1H-inden-1-amine
Registration numbers
MDL Number
MFCD00216669
Beilstein Number
3196204
CAS Number
10277-74-4
PubChem SID
162074283
24868174
PubChem CID
2733933
Molecule Details
Sigma Aldrich
726737
Packaging
5, 25 g in glass bottle
Legal Information
ChiPros is a registered trademark of BASF SE
445347
Packaging
1 g in glass bottle
08233
Other Notes
Chiral building block1
TRC
A611715
An intermediate of N-[1-(R)-Indanyl]adenosine as drug.
References
PubChem Literature
From Data Sources
•
Desolms, S., et al.: J. Med. Chem., 46, 2973 (2003)
Bioactivity
PubChem BioAssay
Registration numbers
•
MDL Number
•
Beilstein Number
•
CAS Number
•
PubChem SID
•
PubChem CID
Properties
Physical Property
Flash Point
94°C
Source
94 °C
Source
201.2 °F
Source
94°C(201°F)
Source
Boiling Point
96-97°C/8mm
Source
96-97 °C/8 mmHg(lit.)
Source
225°C
Source
15°C
Source
15 °C(lit.)
Source
1.038
Source
1.038 g/mL at 25 °C(lit.)
Source
[α]20/D -16.5°, c = 1.5 in methanol
Source
[α]20/D -16.5±1.5°, c = 1.5% in methanol
Source
-16.5 (c=1.5 in methanol)
Source
n20/D 1.562(lit.)
Source
n20/D 1.562
Source
1.5620
Source
Methanol
Source
Chloroform
Source
Clear Brown Oil
Source
1.508
Source
Safety Information
Irritant
Source
Air Sensitive
Source
Download link
Source
Download link
Source
Download link
Source
Product Information
produced by BASF
Source
purum
Source
C9H11N
Source
≥98.5% (GC)
Source
99%
Source
97%
Source
≥98.0% (sum of enantiomers, GC)
Source
Pharmacology Properties
human ... MAOA(4128), MAOB(4129)
Source
Download link
Source
German water hazard class
3
Source
GHS Signal Word
Warning
Source
European Hazard Symbols
Nature polluting (N)
Source
Irritant (Xi)
GHS Precautionary statements
P261
-
P273
-
P305+P351+P338
Source
P280G-
P305+P351+P338
Source
GHS Pictograms
Hazardous to the aquatic environment
Acute hazard, category1
Chronic hazard, categories 1,2
Source
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
GHS Hazard statements
H315
-
H319
-
H335
-
H411
Source
H315
-
H319
-
H335
Source
Safety Statements
26
-
36
-
61
Source
26
-
37
Source
Risk Statements
36/37/38
-
51/53
Source
36/37/38
Source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Source
Storage Temperature
2-8°C
Source
Storage Condition
Refrigerator, Under Inert Atmosphere
Source
TSCA Listed
否
Source
95%
Source
ChiPros 99+%, ee 98+%
Source
98%
Source
Optical Purity
enantiomeric excess: ≥98.5%
Source
Certificate of Analysis
Download link
Source
Melting Point
Density
Optical Rotation
Refractive Index
Solubility
Apperance
Hydrophobicity(logP)
Storage Warning
MSDS Link
Grade
Empirical Formula (Hill Notation)
Purity
Gene Information
Source
Source