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26348-70-9 molecular structure
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methyl (2S)-2,6-diaminohexanoate dihydrochloride

ChemBase ID: 102577
Molecular Formular: C7H18Cl2N2O2
Molecular Mass: 233.13602
Monoisotopic Mass: 232.07453319
SMILES and InChIs

SMILES:
Cl.Cl.COC(=O)[C@@H](N)CCCCN
Canonical SMILES:
NCCCC[C@@H](C(=O)OC)N.Cl.Cl
InChI:
InChI=1S/C7H16N2O2.2ClH/c1-11-7(10)6(9)4-2-3-5-8;;/h6H,2-5,8-9H2,1H3;2*1H/t6-;;/m0../s1
InChIKey:
SXZCBVCQHOJXDR-ILKKLZGPSA-N

Cite this record

CBID:102577 http://www.chembase.cn/molecule-102577.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl (2S)-2,6-diaminohexanoate dihydrochloride
IUPAC Traditional name
L-lysine methyl ester dihydrochloride
Synonyms
(S)-2,6-Diaminohexanoic acid methyl ester dihydrochloride
H-Lys-OMe.2HCl
L-Lysine methyl ester dihydrochloride
L-LYSINE METHYL ESTER DIHYDROCHLORIDE
L-LYSINE METHYL ESTER DI HCl
L-赖氨酸甲酯二盐酸盐
CAS Number
26348-70-9
EC Number
247-625-7
MDL Number
MFCD00039067
Beilstein Number
5302183
PubChem SID
162088763
PubChem CID
117778

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 117778 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -5.4617057  LogD (pH = 7.4) -3.468673 
Log P -0.56471795  Molar Refractivity 42.5786 cm3
Polarizability 17.447567 Å3 Polar Surface Area 78.34 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
210-212°C expand Show data source
ca 200°C dec. expand Show data source
Storage Condition
0°C expand Show data source
Storage Warning
Hygroscopic expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
expand Show data source
Purity
99% expand Show data source
Certificate of Analysis
Download expand Show data source
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 02102222 external link
Dihydrochloride
Crystalline
MP Biomedicals - 05214394 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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