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327-56-0 molecular structure
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(2R)-2-aminohexanoic acid

ChemBase ID: 102660
Molecular Formular: C6H13NO2
Molecular Mass: 131.17292
Monoisotopic Mass: 131.09462866
SMILES and InChIs

SMILES:
CCCC[C@@H](N)C(=O)O
Canonical SMILES:
CCCC[C@H](C(=O)O)N
InChI:
InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m1/s1
InChIKey:
LRQKBLKVPFOOQJ-RXMQYKEDSA-N

Cite this record

CBID:102660 http://www.chembase.cn/molecule-102660.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-2-aminohexanoic acid
IUPAC Traditional name
D-(-)-norleucine
Synonyms
(R)-(-)-2-Aminohexanoic acid
H-D-Nle-OH
D-(-)-Norleucine
D-2-Aminohexanoic acid
D-2-Aminocaproic acid
D-NORLEUCINE
(R)-2-Aminocaproic acid
(R)-2-Aminohexanoic acid
D-Norleucine
D(-)-正亮氨酸
CAS Number
327-56-0
EC Number
206-320-9
MDL Number
MFCD00008099
Beilstein Number
1721749
Merck Index
146706
PubChem SID
162090279
24897785
PubChem CID
456468

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 456468 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.787851  H Acceptors
H Donor LogD (pH = 5.5) -1.4290233 
LogD (pH = 7.4) -1.431352  Log P -1.4286288 
Molar Refractivity 34.2233 cm3 Polarizability 13.835553 Å3
Polar Surface Area 63.32 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
>300°C expand Show data source
Optical Rotation
-23 (c=5 in 5N HCl) expand Show data source
MSDS Link
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
≥99% expand Show data source
99% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C6H13NO2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02102480 external link
Crystalline
Purity: 99+%
Sigma Aldrich - N6627 external link
Biochem/physiol Actions
Norleucine is a synthetic amino acid commonly used as an internal standard.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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