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Molecule
ID:64036
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₆H₁₅ClN₂
Molecular Mass
150.6497
Exact Mass
150.09237617
Charge
0
InChI
InChI=1S/C6H14N2.ClH/c1-8(2)5-6-3-7-4-6;/h6-7H,3-5H2,1-2H3;1H
InChIKey
XPXMVFXWYLCCNT-UHFFFAOYSA-N
Canonic Smiles
CN(CC1CNC1)C.Cl
Isomeric Smiles
Cl.N1CC(CN(C)C)C1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-5.685586
LogD (pH = 7.4)
-3.6694627
Log P
-0.29197305
Molar Refractivity
35.3009
Polarizability
14.118806
Polar Surface Area
15.27
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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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References
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Bioactivity
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General Information
Calculated Properties
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RDKit
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Synonyms
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IUPAC Traditional name
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IUPAC name
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Safety Information
Related Proteins
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From Data Sources
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Data Source
Commercial Catalog
Matrix Scientific
069361
Academic Data
PubChem
23090316
Names and Identifiers
Synonyms
Azetidin-3-yl-N,N-dimethylmethanamine hydrochloride
IUPAC Traditional name
(azetidin-3-ylmethyl)dimethylamine hydrochloride
IUPAC name
(azetidin-3-ylmethyl)dimethylamine hydrochloride
Registration numbers
PubChem SID
162029775
PubChem CID
23090316
MDL Number
MFCD19443908
CAS Number
741287-55-8
Properties
Product Information
Purity
>95%
Source
Safety Information
Storage Warning
IRRITANT
Source
TSCA Listed
false
Source
MSDS Link
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Source
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay