Home > Compound List > Compound details
40336-81-0 molecular structure
click picture or here to close

4-(aminomethyl)-N,N-diethylaniline

ChemBase ID: 143961
Molecular Formular: C11H18N2
Molecular Mass: 178.27402
Monoisotopic Mass: 178.14699859
SMILES and InChIs

SMILES:
CCN(CC)c1ccc(cc1)CN
Canonical SMILES:
CCN(c1ccc(cc1)CN)CC
InChI:
InChI=1S/C11H18N2/c1-3-13(4-2)11-7-5-10(9-12)6-8-11/h5-8H,3-4,9,12H2,1-2H3
InChIKey:
LBSZDWUTQGRQKH-UHFFFAOYSA-N

Cite this record

CBID:143961 http://www.chembase.cn/molecule-143961.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(aminomethyl)-N,N-diethylaniline
IUPAC Traditional name
4-(aminomethyl)-N,N-diethylaniline
Synonyms
4-(Aminomethyl)-N,N-diethylaniline
4-(aminomethyl)-N,N-diethylaniline
CAS Number
40336-81-0
MDL Number
MFCD03410985
PubChem SID
162238178
PubChem CID
13710454

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 13710454 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.3430071  LogD (pH = 7.4) -0.24819341 
Log P 1.920674  Molar Refractivity 58.4572 cm3
Polarizability 22.242117 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)
Hydrophobicity(logP)
2.317 expand Show data source
MSDS Link
Download expand Show data source
Purity
95% expand Show data source
Empirical Formula (Hill Notation)
C11H18N2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - CBR00216 external link
Other Notes
Please note that Sigma-Aldrich does not collect analytical data for AldrichCPR products and that all sales are final.All AldrichCPR products, and other building blocks or screening compounds that are part of this collection, are also available as custom packaged libraries - for more details about this service or for further information on this product, please contact us at AldrichCPR@sial.com.
Legal Information
Product of ChemBridge Corp.

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