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660-88-8 molecular structure
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5-aminopentanoic acid

ChemBase ID: 1831
Molecular Formular: C5H11NO2
Molecular Mass: 117.14634
Monoisotopic Mass: 117.0789786
SMILES and InChIs

SMILES:
NCCCCC(=O)O
Canonical SMILES:
NCCCCC(=O)O
InChI:
InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8)
InChIKey:
JJMDCOVWQOJGCB-UHFFFAOYSA-N

Cite this record

CBID:1831 http://www.chembase.cn/molecule-1831.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-aminopentanoic acid
IUPAC Traditional name
5-aminopentanoic acid
5-aminovaleric acid
Synonyms
5-Aminovaleric acid
5-AMINOVALERIC ACID
delta-AMINOVALERIC ACID
Delta-Amino Valeric Acid
5-Aminopentanoic Acid
delta-AMINOVALERIC ACID
Homopiperidinic acid
5-AMINOVALERIC ACID
5-Aminopentanoic acid
5-氨基正戊酸
5-氨基颉草酸
5-氨基戊酸
CAS Number
660-88-8
EC Number
211-544-5
MDL Number
MFCD00008232
Beilstein Number
906833
PubChem SID
160965286
46505369
24846369
24847525
PubChem CID
449593
138

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa 4.6510544  H Acceptors
H Donor LogD (pH = 5.5) -2.4868147 
LogD (pH = 7.4) -2.4408798  Log P -2.441462 
Molar Refractivity 30.0588 cm3 Polarizability 12.004493 Å3
Polar Surface Area 63.32 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
Log P -2.37  LOG S -1.17 
Solubility (Water) 1.03e+01 g/l 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Melting Point
~160 °C (dec.) expand Show data source
154-160°C expand Show data source
158-161 °C(lit.) expand Show data source
Storage Condition
0°C expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
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
Gene Information
human ... SLC15A1(6564) expand Show data source
Purity
≥95.0% (NT) expand Show data source
97% expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Impurities
~1% water expand Show data source
Linear Formula
NH2(CH2)4CO2H expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals DrugBank DrugBank Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02100637 external link
Crystalline
MP Biomedicals - 05201042 external link
MP Biomedicals Rare Chemical collection
DrugBank - DB02068 external link
Drug information: experimental
Sigma Aldrich - 123188 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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