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1449-70-3 molecular structure
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methan(15N)amine

ChemBase ID: 134893
Molecular Formular: CH5N
Molecular Mass: 32.0505089
Monoisotopic Mass: 32.03923406
SMILES and InChIs

SMILES:
C[15NH2]
Canonical SMILES:
C[15NH2]
InChI:
InChI=1S/CH5N/c1-2/h2H2,1H3/i2+1
InChIKey:
BAVYZALUXZFZLV-VQEHIDDOSA-N

Cite this record

CBID:134893 http://www.chembase.cn/molecule-134893.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methan(15N)amine
IUPAC Traditional name
methan(15N)amine
Synonyms
Methylamine-15N
Methyl-d1-amine-15N
甲胺-15N
甲基-d1-胺-15N
CAS Number
1449-70-3
285977-72-2
MDL Number
MFCD00190480
MFCD00084225
PubChem SID
24881996
162229169
PubChem CID
13000550

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 13000550 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)
Apperance
gas expand Show data source
Melting Point
-93 °C(lit.) expand Show data source
Boiling Point
-6.3 °C(lit.) expand Show data source
Flash Point
-.4 °F expand Show data source
-18 °C expand Show data source
Mass Shift
M+1 expand Show data source
M+2 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Highly flammable Highly flammable (F+) expand Show data source
UN Number
1061 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
2.1 expand Show data source
Risk Statements
12-20/22-34 expand Show data source
Safety Statements
3-16-26-29-36/37/39-45 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H224-H302-H314-H332 expand Show data source
GHS Precautionary statements
P210-P280-P305 + P351 + P338-P310 expand Show data source
RID/ADR
UN 1061 2.1 expand Show data source
Isotopic Purity
98 atom % 15N expand Show data source
98 atom % D expand Show data source
Mol. Weight
mol wt 32.04 by atom % calculation expand Show data source
Linear Formula
CH2D15NH2 expand Show data source
CH315NH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 608688 external link
Packaging
250 mg in Sure-Pac™
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.
Sigma Aldrich - 589896 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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