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204451-50-3 molecular structure
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(2S)-2,6-diaminohexanoic acid

ChemBase ID: 136278
Molecular Formular: C6H14N2O2
Molecular Mass: 147.1809689
Monoisotopic Mass: 147.10256259
SMILES and InChIs

SMILES:
C(CCN)C[C@@H](C(=O)O)[15NH2]
Canonical SMILES:
NCCCC[C@@H](C(=O)O)[15NH2]
InChI:
InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1/i8+1
InChIKey:
KDXKERNSBIXSRK-DCNWSHSXSA-N

Cite this record

CBID:136278 http://www.chembase.cn/molecule-136278.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2,6-diaminohexanoic acid
IUPAC Traditional name
L-lysine
Synonyms
L-Lysine-2-15N dihydrochloride
L-赖氨酸-2-15N 二盐酸盐
CAS Number
204451-50-3
PubChem SID
162230549
PubChem CID
16217576

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
592900 external link Add to cart Please log in.
Data Source Data ID
PubChem 16217576 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
200-206 °C (dec.)(lit.) expand Show data source
Optical Rotation
[α]20/D +17°, c = 2 in 6 M HCl expand Show data source
Mass Shift
M+1 expand Show data source
MSDS Link
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
98% (CP) expand Show data source
Isotopic Purity
98 atom % 15N expand Show data source
Mol. Weight
mol wt 221.10 by atom % calculation expand Show data source
Linear Formula
H2N(CH2)4CH(15NH2)CO2H · 2HCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 592900 external link
Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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