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88216-85-7 molecular structure
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ethan(15N)amine

ChemBase ID: 134585
Molecular Formular: C2H7N
Molecular Mass: 46.0770889
Monoisotopic Mass: 46.05488412
SMILES and InChIs

SMILES:
CC[15NH2]
Canonical SMILES:
CC[15NH2]
InChI:
InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3/i3+1
InChIKey:
QUSNBJAOOMFDIB-LBPDFUHNSA-N

Cite this record

CBID:134585 http://www.chembase.cn/molecule-134585.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethan(15N)amine
IUPAC Traditional name
ethan(15N)amine
Synonyms
Ethylamine-15N
乙胺-15N
CAS Number
88216-85-7
MDL Number
MFCD01075611
PubChem SID
162228861
PubChem CID
12203871

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
586307 external link Add to cart Please log in.
Data Source Data ID
PubChem 12203871 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.2930596  LogD (pH = 7.4) -2.885711 
Log P -0.26865092  Molar Refractivity 14.6674 cm3
Polarizability 5.9539757 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)
Boiling Point
16.6 °C(lit.) expand Show data source
Flash Point
1.4 °F expand Show data source
-17 °C expand Show data source
Mass Shift
M+1 expand Show data source
European Hazard Symbols
Highly flammable Highly flammable (F+) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
1036 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
1 expand Show data source
Hazard Class
2.1 expand Show data source
Risk Statements
12-36/37 expand Show data source
Safety Statements
16-26-29 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS04 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H220-H280-H319-H335 expand Show data source
GHS Precautionary statements
P210-P261-P305 + P351 + P338-P410 + P403 expand Show data source
RID/ADR
UN 1036 2.1 expand Show data source
Isotopic Purity
98 atom % 15N expand Show data source
Linear Formula
CH3CH215NH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 586307 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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