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7274-88-6 molecular structure
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(1S)-5-amino-1-carboxypentan-1-aminium chloride

ChemBase ID: 302059
Molecular Formular: C6H15ClN2O2
Molecular Mass: 182.6485
Monoisotopic Mass: 182.08220541
SMILES and InChIs

SMILES:
C(CCN)C[C@@H](C(=O)O)[NH3+].[Cl-]
Canonical SMILES:
NCCCC[C@@H](C(=O)O)[NH3+].[Cl-]
InChI:
InChI=1S/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H/t5-;/m0./s1
InChIKey:
BVHLGVCQOALMSV-JEDNCBNOSA-N

Cite this record

CBID:302059 http://www.chembase.cn/molecule-302059.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1S)-5-amino-1-carboxypentan-1-aminium chloride
IUPAC Traditional name
(1S)-5-amino-1-carboxypentan-1-aminium chloride
Synonyms
(R)-2,6-Diaminohexanoic acid monohydrochloride
H-D-Lys-OH.HCl
D-Lysine monohydrochloride
D-赖氨酸单盐酸盐
CAS Number
7274-88-6
EC Number
230-691-6
MDL Number
MFCD00012920
Beilstein Number
4356907

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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 49.1023 cm3 Polarizability 15.312439 Å3
Polar Surface Area 90.96 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
ca 260°C dec. expand Show data source
Optical Rotation
-20 (c=5 in 5N HCl) expand Show data source
RTECS
OL5632500 expand Show data source
TSCA Listed
expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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