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Molecule
ID:135286
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₃H₉N
Molecular Mass
60.1036689
Exact Mass
60.07053419
Charge
0
InChI
InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3/i4+1
InChIKey
WGYKZJWCGVVSQN-AZXPZELESA-N
Canonic Smiles
CCC[15NH2]
Isomeric Smiles
CCC[15NH2]
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
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
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JChem
Data Source
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Commercial Catalog
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Academic Data
Names and Identifiers
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Synonyms
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IUPAC name
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IUPAC Traditional name
Registration numbers
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MDL Number
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CAS Number
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PubChem CID
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PubChem SID
Properties
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Safety Information
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Product Information
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Physical Property
Related Proteins
Molecular Spectra
Molecule Details
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Sigma Aldrich
References
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PubChem Literature
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Commercial Catalog
Sigma Aldrich
608858
Academic Data
PubChem
16213612
Names and Identifiers
Synonyms
丙胺-15N
Propylamine-15N
IUPAC name
propan-1-(
1
5
N)amine
IUPAC Traditional name
propan-1-(
1
5
N)amine
Registration numbers
MDL Number
MFCD01075612
CAS Number
53754-16-8
PubChem CID
16213612
PubChem SID
162229561
Molecule Details
Sigma Aldrich
608858
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
Properties
Safety Information
GHS Pictograms
Corrosive to metals, category 1
Skin corrosion, categories 1A,1B,1C
Serious eye damage, category 1
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
Source
European Hazard Symbols
Corrosive (C)
Source
Flammable (F)
Safety Statements
26
-
36/37/39
-
45
Source
GHS Signal Word
Danger
Source
MSDS Link
Download link
Source
Risk Statements
11
-
20/21/22
-
34
Source
GHS Precautionary statements
P280
-
P305+P351+P338
-
P310
Source
GHS Hazard statements
H302+H312
-
H314
Source
German water hazard class
1
Source
Product Information
Mol. Weight
mol wt 60.09 by atom % calculation
Source
Isotopic Purity
98 atom % 15N
Source
Linear Formula
CH3CH2CH215NH2
Source
Physical Property
Boiling Point
48 °C
Source
Flash Point
-22 °F
Source
-30 °C
Source
Density
0.731 g/mL at 25 °C
Source
Mass Shift
M+1
Source
Melting Point
-83 °C
Source
Source