Home > Compound List > Compound details
MFCD09836810 molecular structure
click picture or here to close

ethyl 2-(aminomethyl)-4-methylpentanoate hydrochloride

ChemBase ID: 280092
Molecular Formular: C9H20ClNO2
Molecular Mass: 209.7136
Monoisotopic Mass: 209.11825657
SMILES and InChIs

SMILES:
C(C(=O)OCC)(CC(C)C)CN.Cl
Canonical SMILES:
CCOC(=O)C(CC(C)C)CN.Cl
InChI:
InChI=1S/C9H19NO2.ClH/c1-4-12-9(11)8(6-10)5-7(2)3;/h7-8H,4-6,10H2,1-3H3;1H
InChIKey:
TYCIQBBYXXRHEU-UHFFFAOYSA-N

Cite this record

CBID:280092 http://www.chembase.cn/molecule-280092.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 2-(aminomethyl)-4-methylpentanoate hydrochloride
IUPAC Traditional name
ethyl 2-(aminomethyl)-4-methylpentanoate hydrochloride
Synonyms
ethyl 2-(aminomethyl)-4-methylpentanoate hydrochloride
MDL Number
MFCD09836810
PubChem SID
180665623
PubChem CID
16641204

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-87160 external link Add to cart Please log in.
Data Source Data ID
PubChem 16641204 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.6530355  LogD (pH = 7.4) -0.5619882 
Log P 1.3113819  Molar Refractivity 48.5456 cm3
Polarizability 19.596916 Å3 Polar Surface Area 52.32 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.896 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