Home > Compound List > Compound details
114094-45-0 molecular structure
click picture or here to close

(4,4-diethoxybutyl)(methyl)amine

ChemBase ID: 173254
Molecular Formular: C9H21NO2
Molecular Mass: 175.26854
Monoisotopic Mass: 175.15722892
SMILES and InChIs

SMILES:
C(C(OCC)OCC)CCNC
Canonical SMILES:
CNCCCC(OCC)OCC
InChI:
InChI=1S/C9H21NO2/c1-4-11-9(12-5-2)7-6-8-10-3/h9-10H,4-8H2,1-3H3
InChIKey:
PUDDNHSIGUYGOH-UHFFFAOYSA-N

Cite this record

CBID:173254 http://www.chembase.cn/molecule-173254.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4,4-diethoxybutyl)(methyl)amine
IUPAC Traditional name
(4,4-diethoxybutyl)(methyl)amine
Synonyms
4,4-Diethoxy-N-methyl-1-butanamine
γ-Methylaminobutyraldehyde Diethyl Acetal
CAS Number
114094-45-0
PubChem SID
164229164
PubChem CID
13994547

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M285740 external link Add to cart
PubChem 13994547 external link
Data Source Data ID Price
TRC
M285740 external link Add to cart Please log in.
Data Source Data ID
PubChem 13994547 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.1338308  LogD (pH = 7.4) -1.7842996 
Log P 1.1012855  Molar Refractivity 50.6356 cm3
Polarizability 20.215715 Å3 Polar Surface Area 30.49 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - M285740 external link
A precursor to gamma-methylaminobuteraldehyde.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Plant Physiol., 43, 93 (1968)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle