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12168-30-8 molecular structure
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(2H3)amine; [(2H)oxy](2H)

ChemBase ID: 147731
Molecular Formular: NO
Molecular Mass: 30.0061
Monoisotopic Mass: 29.99798863
SMILES and InChIs

SMILES:
N.O
Canonical SMILES:
N.O
InChI:
InChI=1S/H3N.H2O/h1H3;1H2
InChIKey:
VHUUQVKOLVNVRT-UHFFFAOYSA-N

Cite this record

CBID:147731 http://www.chembase.cn/molecule-147731.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2H3)amine; [(2H)oxy](2H)
IUPAC Traditional name
(2H3)amine; deuterium oxide
Synonyms
Ammonium-d4 deuteroxide solution
重水铵-d4 溶液
CAS Number
12168-30-8
MDL Number
MFCD00064511
PubChem SID
24850594
162241915
PubChem CID
16211396

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
176702 external link Add to cart Please log in.
Data Source Data ID
PubChem 16211396 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)
Density
1.056 g/mL at 25 °C expand Show data source
Refractive Index
n20/D 1.334 expand Show data source
Mass Shift
M+5 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
2672 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
36/37/38-50 expand Show data source
Safety Statements
26-61 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314-H335-H400 expand Show data source
GHS Precautionary statements
P261-P273-P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2672 8/PG 3 expand Show data source
Concentration
25 wt. % in D2O expand Show data source
Isotopic Purity
99 atom % D expand Show data source
Mol. Weight
mol wt 40.03 by atom % calculation expand Show data source
Linear Formula
ND4OD/D2O soln. expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 176702 external link
Packaging
5, 50, 100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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