Home > Compound List > Compound details
128551-39-3 molecular structure
click picture or here to close

2,5-diaminopentanoic acid

ChemBase ID: 131610
Molecular Formular: C5H12N2O2
Molecular Mass: 132.16098
Monoisotopic Mass: 132.08987763
SMILES and InChIs

SMILES:
C(CC(C(=O)O)N)CN
Canonical SMILES:
NC(C(=O)O)CCCN
InChI:
InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)
InChIKey:
AHLPHDHHMVZTML-UHFFFAOYSA-N

Cite this record

CBID:131610 http://www.chembase.cn/molecule-131610.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,5-diaminopentanoic acid
IUPAC Traditional name
ornithine L- monohydrochloride
Synonyms
L-Ornithine-[2,3-3H]
CAS Number
128551-39-3
MDL Number
MFCD00135798
PubChem SID
24897927
162225887
PubChem CID
389

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
O0256 external link Add to cart Please log in.
Data Source Data ID
PubChem 389 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.6664226  H Acceptors
H Donor LogD (pH = 5.5) -6.399376 
LogD (pH = 7.4) -5.4160175  Log P -3.6582875 
Molar Refractivity 33.2085 cm3 Polarizability 13.533871 Å3
Polar Surface Area 89.34 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
R expand Show data source
UN Number
2910 expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
7 expand Show data source
RID/ADR
UN 2910 7 expand Show data source
Storage Temperature
2-8°C expand Show data source
Extent of Labeling
40-70 Ci/mmol expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - O0256 external link
包装
serum bottle
Physical form
Aqueous solution containing 2% ethanol

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle