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70-54-2 molecular structure
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2,6-diaminohexanoic acid

ChemBase ID: 109030
Molecular Formular: C6H14N2O2
Molecular Mass: 146.18756
Monoisotopic Mass: 146.1055277
SMILES and InChIs

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

Cite this record

CBID:109030 http://www.chembase.cn/molecule-109030.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-diaminohexanoic acid
IUPAC Traditional name
lysine
Synonyms
DL-LYSINE MONO HCl
(±)-2,6-Diaminocaproic acid
DL-Lysine
(+/-)-2,6-Diaminohexanoic acid monohydrate
H-DL-Lys-OH.H_2O
DL-Lysine monohydrate
L-Lysine
DL-Lysine
2,6-diaminohexanoic acid
2,6-diaminohexanoic acid
Lysine
(±)-2,6-二氨基己酸
DL-赖氨酸
DL-赖氨酸一水化合物
CAS Number
70-54-2
885701-25-7
56-87-1
70-53-1
EC Number
200-740-6
MDL Number
MFCD00064433
MFCD00151036
MFCD00064432
Beilstein Number
1616991
PubChem SID
162095020
24896317
PubChem CID
866
CHEBI ID
25094
ATC CODE
B05XB03
CHEMBL
28328
Chemspider ID
843
IUPHAR ligand ID
724
KEGG ID
C16440
Wikipedia Title
Lysine

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)
Solubility
1.5kg/L @ 25 °C in water expand Show data source
Melting Point
~175 °C expand Show data source
168 - 170°C expand Show data source
170 °C (dec.)(lit.) expand Show data source
ca 110°C expand Show data source
Hydrophobicity(logP)
-3.424 expand Show data source
RTECS
OL5540000 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
1 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
≥95.0% (NT) expand Show data source
≥98% (TLC) expand Show data source
95% expand Show data source
95+% expand Show data source
98% expand Show data source
98+% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Impurities
≤2% water expand Show data source
Linear Formula
NH2(CH2)4CH(NH2)COOH expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia
MP Biomedicals - 05209588 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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