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929-73-7 molecular structure
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dodecan-1-aminium chloride

ChemBase ID: 302280
Molecular Formular: C12H28ClN
Molecular Mass: 221.81042
Monoisotopic Mass: 221.19102758
SMILES and InChIs

SMILES:
CCCCCCCCCCCC[NH3+].[Cl-]
Canonical SMILES:
CCCCCCCCCCCC[NH3+].[Cl-]
InChI:
InChI=1S/C12H27N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13;/h2-13H2,1H3;1H
InChIKey:
TWFQJFPTTMIETC-UHFFFAOYSA-N

Cite this record

CBID:302280 http://www.chembase.cn/molecule-302280.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dodecan-1-aminium chloride
IUPAC Traditional name
dodecan-1-aminium chloride
Synonyms
1-Aminododecane hydrochloride
Laurylamine hydrochloride
1-Dodecylamine hydrochloride
1-十二胺盐酸盐
CAS Number
929-73-7
EC Number
213-205-7
MDL Number
MFCD00042017
Beilstein Number
3553943

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Alfa Aesar L12314 external link Add to cart
Data Source Data ID Price
Alfa Aesar
L12314 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.2310013  LogD (pH = 7.4) 1.6507778 
Log P 4.2549896  Molar Refractivity 71.8932 cm3
Polarizability 24.346558 Å3 Polar Surface Area 27.64 Å2
Rotatable Bonds 10  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
186-188°C expand Show data source
RTECS
JR6750000 expand Show data source
European Hazard Symbols
X expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26-36/37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H302-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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