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285132-87-8 molecular structure
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bis(2H5)ethylamine hydrochloride

ChemBase ID: 136911
Molecular Formular: C4H12ClN
Molecular Mass: 109.59778
Monoisotopic Mass: 109.06582707
SMILES and InChIs

SMILES:
CCNCC.Cl
Canonical SMILES:
CCNCC.Cl
InChI:
InChI=1S/C4H11N.ClH/c1-3-5-4-2;/h5H,3-4H2,1-2H3;1H
InChIKey:
HDITUCONWLWUJR-UHFFFAOYSA-N

Cite this record

CBID:136911 http://www.chembase.cn/molecule-136911.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis(2H5)ethylamine hydrochloride
IUPAC Traditional name
bis(2H5)ethylamine hydrochloride
Synonyms
Diethyl-d10-amine hydrochloride
二乙基-d10-胺 盐酸盐
CAS Number
285132-87-8
MDL Number
MFCD00190423
PubChem SID
162231178
24872430
PubChem CID
16213414

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
488836 external link Add to cart Please log in.
Data Source Data ID
PubChem 16213414 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.7150512  LogD (pH = 7.4) -2.3893538 
Log P 0.5207374  Molar Refractivity 24.1906 cm3
Polarizability 9.648022 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
227-230 °C(lit.) expand Show data source
Mass Shift
M+10 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Isotopic Purity
98 atom % D expand Show data source
Mol. Weight
mol wt 119.56 by atom % calculation expand Show data source
Linear Formula
(C2D5)2NH · HCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 488836 external link
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

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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