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2432-99-7 molecular structure
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11-aminoundecanoic acid

ChemBase ID: 105728
Molecular Formular: C11H23NO2
Molecular Mass: 201.30582
Monoisotopic Mass: 201.17287898
SMILES and InChIs

SMILES:
NCCCCCCCCCCC(=O)O
Canonical SMILES:
NCCCCCCCCCCC(=O)O
InChI:
InChI=1S/C11H23NO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10,12H2,(H,13,14)
InChIKey:
GUOSQNAUYHMCRU-UHFFFAOYSA-N

Cite this record

CBID:105728 http://www.chembase.cn/molecule-105728.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
11-aminoundecanoic acid
IUPAC Traditional name
11-aminoundecanoic acid
Synonyms
11-Aminoundecanoic acid
omega-AMINOUNDECANOIC ACID
11-AMINOUNDECANOIC ACID
11-氨基十一酸
CAS Number
2432-99-7
EC Number
219-417-6
MDL Number
MFCD00008150
Beilstein Number
1767291
PubChem SID
162092658
24891324
PubChem CID
17083

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.6520185  H Acceptors
H Donor LogD (pH = 5.5) 0.18050034 
LogD (pH = 7.4) 0.2265304  Log P 0.22594628 
Molar Refractivity 57.6648 cm3 Polarizability 23.025103 Å3
Polar Surface Area 63.32 Å2 Rotatable Bonds 10 
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
188-191 °C(lit.) expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
YQ2293000 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
95+% expand Show data source
97% expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Linear Formula
NH2(CH2)10CO2H expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05211486 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - A82605 external link
Packaging
100, 500 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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