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657-26-1 molecular structure
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(2S)-2,6-diaminohexanoic acid dihydrochloride

ChemBase ID: 102575
Molecular Formular: C6H16Cl2N2O2
Molecular Mass: 219.10944
Monoisotopic Mass: 218.05888312
SMILES and InChIs

SMILES:
Cl.Cl.NCCCC[C@H](N)C(=O)O
Canonical SMILES:
NCCCC[C@@H](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/t5-;;/m0../s1
InChIKey:
JBBURJFZIMRPCZ-XRIGFGBMSA-N

Cite this record

CBID:102575 http://www.chembase.cn/molecule-102575.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2,6-diaminohexanoic acid dihydrochloride
IUPAC Traditional name
L-lysine dihydrochloride
Synonyms
(S)-2,6-Diaminohexanoic acid dihydrochloride
2,6-Diaminohexanoic acid dihydrochloride
L-LYSINE DIHYDROCHLORIDE
(S)-2,6-Diaminohexanoic acid dihydrochloride
L-Lysine dihydrochloride
L-LYSINE DI HCl
L-赖氨酸盐二盐酸盐
(S)-2,6-二氨基己酸 二盐酸盐
L-赖氨酸 二盐酸盐
CAS Number
657-26-1
284664-88-6
6150-68-1
EC Number
211-518-3
MDL Number
MFCD00066389
Beilstein Number
4539715
Merck Index
145636
PubChem SID
162089951
24896413
PubChem CID
69567

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
200-206 °C(lit.) expand Show data source
202-206°C expand Show data source
Optical Rotation
[α]20/D +17°, c = 2 in 6 M HCl expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
Storage Warning
Hygroscopic 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
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥98% (TLC) expand Show data source
95+% expand Show data source
99% expand Show data source
Certificate of Analysis
Download expand Show data source
Download 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 - 02102220 external link
Dihydrochloride
Crystalline
MP Biomedicals - 05208671 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - L5751 external link
包装
25, 100 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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