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53170-19-7 molecular structure
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bis(2H3)methylamine hydrochloride

ChemBase ID: 150477
Molecular Formular: C2H8ClN
Molecular Mass: 81.54462
Monoisotopic Mass: 81.03452694
SMILES and InChIs

SMILES:
CNC.Cl
Canonical SMILES:
CNC.Cl
InChI:
InChI=1S/C2H7N.ClH/c1-3-2;/h3H,1-2H3;1H
InChIKey:
IQDGSYLLQPDQDV-UHFFFAOYSA-N

Cite this record

CBID:150477 http://www.chembase.cn/molecule-150477.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis(2H3)methylamine hydrochloride
IUPAC Traditional name
bis(2H3)methylamine hydrochloride
Synonyms
Dimethyl-d6-amine hydrochloride
二甲基-d6-胺 盐酸盐
CAS Number
53170-19-7
EC Number
258-409-7
MDL Number
MFCD00064544
PubChem SID
24856889
162244638
PubChem CID
12199012

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
279463 external link Add to cart Please log in.
Data Source Data ID
PubChem 12199012 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.427765  LogD (pH = 7.4) -3.0703833 
Log P -0.19287847  Molar Refractivity 14.6934 cm3
Polarizability 5.9539757 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
170-173 °C(lit.) expand Show data source
Mass Shift
M+6 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-36/37/38 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
H302-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Isotopic Purity
99 atom % D expand Show data source
Mol. Weight
mol wt 87.52 by atom % calculation expand Show data source
Linear Formula
(CD3)2NH · HCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 279463 external link
Packaging
1, 5 g in glass bottle
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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