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4271-86-7 molecular structure
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methyl 12-aminododecanoate hydrochloride

ChemBase ID: 160068
Molecular Formular: C13H28ClNO2
Molecular Mass: 265.81992
Monoisotopic Mass: 265.18085682
SMILES and InChIs

SMILES:
NCCCCCCCCCCCC(=O)OC.Cl
Canonical SMILES:
NCCCCCCCCCCCC(=O)OC.Cl
InChI:
InChI=1S/C13H27NO2.ClH/c1-16-13(15)11-9-7-5-3-2-4-6-8-10-12-14;/h2-12,14H2,1H3;1H
InChIKey:
UZAPWACCYWKXEL-UHFFFAOYSA-N

Cite this record

CBID:160068 http://www.chembase.cn/molecule-160068.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 12-aminododecanoate hydrochloride
IUPAC Traditional name
methyl 12-aminododecanoate hydrochloride
Synonyms
Methyl 12-Aminododecanoate HCl
12-Aminododecanoic Acid Methyl Ester Hydrochloride
12-Amino-1-dodecanoic Acid Methyl Ester Hydrochloride Salt
12-Amino-dodecanoic Acid Methyl Ester Hydrochloride
Methyl 12-Aminododecanoate, Hydrochloride
CAS Number
4271-86-7
PubChem SID
162254203
PubChem CID
19372000

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 19372000 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.056653526  LogD (pH = 7.4) 0.4764301 
Log P 3.0806417  Molar Refractivity 67.0349 cm3
Polarizability 26.965332 Å3 Polar Surface Area 52.32 Å2
Rotatable Bonds 12  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMF expand Show data source
Hot Methanol expand Show data source
Methanol expand Show data source
Tetrahydrofuran expand Show data source
Water expand Show data source
Apperance
White Solid expand Show data source
Melting Point
151-153°C expand Show data source
157-160°C expand Show data source
Storage Condition
-20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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