Home > Compound List > Compound details
15404-06-5 molecular structure
click picture or here to close

(2-aminoethyl)(butyl)methylamine

ChemBase ID: 10418
Molecular Formular: C7H18N2
Molecular Mass: 130.23122
Monoisotopic Mass: 130.14699859
SMILES and InChIs

SMILES:
NCCN(CCCC)C
Canonical SMILES:
CCCCN(CCN)C
InChI:
InChI=1S/C7H18N2/c1-3-4-6-9(2)7-5-8/h3-8H2,1-2H3
InChIKey:
BCHCXIHUKWIMHC-UHFFFAOYSA-N

Cite this record

CBID:10418 http://www.chembase.cn/molecule-10418.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-aminoethyl)(butyl)methylamine
IUPAC Traditional name
(2-aminoethyl)(butyl)methylamine
Synonyms
(2-aminoethyl)(butyl)methylamine
2-(N-Methyl-N-butylamino)ethylamine
CAS Number
15404-06-5
MDL Number
MFCD00047952
PubChem SID
160973725
PubChem CID
3794578

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3794578 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.124665  LogD (pH = 7.4) -1.8325942 
Log P 0.71708465  Molar Refractivity 41.8115 cm3
Polarizability 16.705751 Å3 Polar Surface Area 29.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
150°C expand Show data source
Hydrophobicity(logP)
1.264 expand Show data source
Storage Warning
CORROSIVE expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

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