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60656-93-1 molecular structure
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(13C)methanamine hydrochloride

ChemBase ID: 146028
Molecular Formular: CH6ClN
Molecular Mass: 68.51069484
Monoisotopic Mass: 68.02223172
SMILES and InChIs

SMILES:
[13CH3]N.Cl
Canonical SMILES:
[13CH3]N.Cl
InChI:
InChI=1S/CH5N.ClH/c1-2;/h2H2,1H3;1H/i1+1;
InChIKey:
NQMRYBIKMRVZLB-YTBWXGASSA-N

Cite this record

CBID:146028 http://www.chembase.cn/molecule-146028.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(13C)methanamine hydrochloride
IUPAC Traditional name
(13C)methanamine hydrochloride
Synonyms
Methylamine-13C hydrochloride
甲胺-13C 盐酸盐
CAS Number
60656-93-1
MDL Number
MFCD00037597
PubChem SID
162240228
24856775
PubChem CID
16211798

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
277630 external link Add to cart Please log in.
Data Source Data ID
PubChem 16211798 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
232-234 °C(lit.) expand Show data source
Mass Shift
M+1 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
99 atom % 13C expand Show data source
Mol. Weight
mol wt 68.51 by atom % calculation expand Show data source
Linear Formula
13CH3NH2 · HCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 277630 external link
Packaging
1 g in glass bottle
250 mg 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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