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14779-52-3 molecular structure
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chloro(2H); methyl(2H2)amine

ChemBase ID: 139085
Molecular Formular: CH6ClN
Molecular Mass: 67.51804
Monoisotopic Mass: 67.01887688
SMILES and InChIs

SMILES:
NC.Cl
Canonical SMILES:
CN.Cl
InChI:
InChI=1S/CH5N.ClH/c1-2;/h2H2,1H3;1H
InChIKey:
NQMRYBIKMRVZLB-UHFFFAOYSA-N

Cite this record

CBID:139085 http://www.chembase.cn/molecule-139085.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
chloro(2H); methyl(2H2)amine
IUPAC Traditional name
chloro(2H); methyl(2H2)amine
Synonyms
Methylammonium-d3 chloride
Methylamine-d2 deuteriochloride
盐酸甲胺-d3
甲胺-d2 氯化氘
CAS Number
14779-52-3
EC Number
238-847-5
MDL Number
MFCD00044226
PubChem SID
162233335
24850542
PubChem CID
2723973

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
175994 external link Add to cart Please log in.
Data Source Data ID
PubChem 2723973 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.6464596  LogD (pH = 7.4) -3.147669 
Log P -0.62545884  Molar Refractivity 9.9188 cm3
Polarizability 4.106978 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
233-235 °C (dec.)(lit.) expand Show data source
Mass Shift
M+3 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 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
Isotopic Purity
≥98 atom % D expand Show data source
Linear Formula
CH3ND2·DCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 175994 external link
Packaging
1 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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