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22364-56-3 molecular structure
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(2H3)amine

ChemBase ID: 137296
Molecular Formular: H3N
Molecular Mass: 18.0239289
Monoisotopic Mass: 18.02358399
SMILES and InChIs

SMILES:
[15NH3]
Canonical SMILES:
[15NH3]
InChI:
InChI=1S/H3N/h1H3/i1+1
InChIKey:
QGZKDVFQNNGYKY-OUBTZVSYSA-N

Cite this record

CBID:137296 http://www.chembase.cn/molecule-137296.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2H3)amine
IUPAC Traditional name
(2H3)amine
Synonyms
Ammonia-15N,d3
氨-15N,d3
CAS Number
22364-56-3
MDL Number
MFCD00084113
PubChem SID
162231560
24872065
PubChem CID
16213285

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
485373 external link Add to cart Please log in.
Data Source Data ID
PubChem 16213285 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.7525723  LogD (pH = 7.4) -2.4393091 
Log P -0.978  Molar Refractivity 15.5149 cm3
Polarizability 2.2600515 Å3 Polar Surface Area 13.59 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-76 °C(lit.) expand Show data source
Boiling Point
-33 °C(lit.) expand Show data source
Flash Point
132 °C expand Show data source
269.6 °F expand Show data source
Mass Shift
M+4 expand Show data source
UN Number
1005 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
2.3 expand Show data source
GHS Pictograms
GHS04 expand Show data source
GHS05 expand Show data source
GHS06 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H221-H280-H314-H331-H400 expand Show data source
GHS Precautionary statements
P210-P261-P273-P280-P305 + P351 + P338-P310 expand Show data source
RID/ADR
UN 1005 2.3 expand Show data source
Isotopic Purity
98 atom % 15N expand Show data source
99 atom % D expand Show data source
Mol. Weight
mol wt 20.99 by atom % calculation expand Show data source
Linear Formula
15ND3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 485373 external link
Packaging
1 L in steel cylinder
Lecture bottle with SS CGA 110/180 valve
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.
Recommended products
Stainless steel control valves Z146951, Z187224 or either of stainless steel regulators Z148504 and Z148512 and a "T"-purge valve Z151661 is recommended.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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