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20781-21-9 molecular structure
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(2,4-dimethoxyphenyl)methanamine hydrochloride

ChemBase ID: 104928
Molecular Formular: C9H14ClNO2
Molecular Mass: 203.66596
Monoisotopic Mass: 203.07130637
SMILES and InChIs

SMILES:
Cl.COc1ccc(CN)c(OC)c1
Canonical SMILES:
COc1cc(OC)ccc1CN.Cl
InChI:
InChI=1S/C9H13NO2.ClH/c1-11-8-4-3-7(6-10)9(5-8)12-2;/h3-5H,6,10H2,1-2H3;1H
InChIKey:
KJOWSAVFSCSBMZ-UHFFFAOYSA-N

Cite this record

CBID:104928 http://www.chembase.cn/molecule-104928.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2,4-dimethoxyphenyl)methanamine hydrochloride
IUPAC Traditional name
(2,4-dimethoxyphenyl)methanamine hydrochloride
Synonyms
(2,4-Dimethoxyphenyl)methanamine hydrochloride
2,4-DIMETHOXYBENZYLAMINE HYDROCHLORIDE
2,4-Dimethoxybenzylamine hydrochloride
2,4-二甲氧基苄胺 盐酸盐
CAS Number
20781-21-9
EC Number
244-036-7
MDL Number
MFCD00012854
PubChem SID
162092308
24850759
PubChem CID
3084343

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.1100907  LogD (pH = 7.4) -0.7687591 
Log P 0.78367174  Molar Refractivity 47.4578 cm3
Polarizability 18.725096 Å3 Polar Surface Area 44.48 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
188-190 °C(lit.) expand Show data source
Storage Condition
0°C expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
95+% expand Show data source
97% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
(CH3O)2C6H3CH2NH2·HCl expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02157773 external link
Hydrochloride
Crystalline
Protects the amide group in glutamine and asparagine during peptide synthesis.
Sigma Aldrich - 178608 external link
Packaging
25 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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