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617-68-5 molecular structure
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2,6-diaminohexanoic acid dihydrochloride

ChemBase ID: 102571
Molecular Formular: C6H16Cl2N2O2
Molecular Mass: 219.10944
Monoisotopic Mass: 218.05888312
SMILES and InChIs

SMILES:
Cl.Cl.NCCCCC(N)C(=O)O
Canonical SMILES:
NCCCCC(C(=O)O)N.Cl.Cl
InChI:
InChI=1S/C6H14N2O2.2ClH/c7-4-2-1-3-5(8)6(9)10;;/h5H,1-4,7-8H2,(H,9,10);2*1H
InChIKey:
JBBURJFZIMRPCZ-UHFFFAOYSA-N

Cite this record

CBID:102571 http://www.chembase.cn/molecule-102571.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-diaminohexanoic acid dihydrochloride
IUPAC Traditional name
lysine dihydrochloride
Synonyms
DL-LYSINE DIHYDROCHLORIDE
DL-LYSINE DI HCl
DL-Lysine dihydrochloride
DL-赖氨酸 二盐酸盐
CAS Number
617-68-5
EC Number
210-523-8
MDL Number
MFCD00037587
Beilstein Number
5113177
PubChem SID
162088145
24882277
PubChem CID
517175

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 517175 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.7382863  H Acceptors
H Donor LogD (pH = 5.5) -5.9555907 
LogD (pH = 7.4) -4.978252  Log P -3.2145348 
Molar Refractivity 37.8095 cm3 Polarizability 15.365045 Å3
Polar Surface Area 89.34 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
190-195 °C (dec.) expand Show data source
Storage Condition
Room Temperature (15-30°C), Desiccate expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥99.0% (AT) expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Ignition Residue
≤0.05% expand Show data source
Linear Formula
NH2(CH2)4CH(NH2)COOH · 2HCl expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02102213 external link
Dihydrochloride
Crystalline
MP Biomedicals - 05202519 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 62910 external link
Packaging
100 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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