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Molecule
ID:135348
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₃H₉N
Molecular Mass
59.11026
Exact Mass
59.07349929
Charge
0
InChI
InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3
InChIKey
WGYKZJWCGVVSQN-UHFFFAOYSA-N
Canonic Smiles
CCCN
Isomeric Smiles
CCCN
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.7702847
LogD (pH = 7.4)
-2.355427
Log P
0.25387147
Molar Refractivity
19.1914
Polarizability
7.800994
Polar Surface Area
26.02
Rotatable Bonds
1
Lipinski's Rule of Five
true
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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Bioactivity
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General Information
Calculated Properties
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RDKit
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JChem
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Names and Identifiers
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IUPAC name
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Synonyms
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IUPAC Traditional name
Registration numbers
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MDL Number
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PubChem SID
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PubChem CID
Properties
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Safety Information
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Product Information
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Physical Property
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Molecular Spectra
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Sigma Aldrich
References
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Commercial Catalog
Sigma Aldrich
613673
Academic Data
PubChem
59248895
Names and Identifiers
IUPAC name
(
2
H
7
)propan-1-amine
Synonyms
丙胺-d7
Propyl-d7-amine
IUPAC Traditional name
(
2
H
7
)propan-1-amine
Registration numbers
MDL Number
MFCD06658557
PubChem SID
162229622
PubChem CID
59248895
Properties
Safety Information
MSDS Link
Download link
Source
Product Information
Isotopic Purity
98 atom % D
Source
Linear Formula
CD3(CD2)2NH2
Source
Mol. Weight
mol wt 60.01 by atom % calculation
Source
Physical Property
Boiling Point
48 °C
Source
Density
0.803 g/mL at 25 °C
Source
Melting Point
-83 °C
Source
Mass Shift
M+7
Source
Molecule Details
Sigma Aldrich
613673
Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay