Home > Compound List > Compound details
122734-32-1 molecular structure
click picture or here to close

tert-butyl N-[2-(methylamino)ethyl]carbamate

ChemBase ID: 67881
Molecular Formular: C8H18N2O2
Molecular Mass: 174.24072
Monoisotopic Mass: 174.13682783
SMILES and InChIs

SMILES:
C(=O)(NCCNC)OC(C)(C)C
Canonical SMILES:
CNCCNC(=O)OC(C)(C)C
InChI:
InChI=1S/C8H18N2O2/c1-8(2,3)12-7(11)10-6-5-9-4/h9H,5-6H2,1-4H3,(H,10,11)
InChIKey:
GKWGBMHXVRSFRT-UHFFFAOYSA-N

Cite this record

CBID:67881 http://www.chembase.cn/molecule-67881.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl N-[2-(methylamino)ethyl]carbamate
IUPAC Traditional name
tert-butyl N-[2-(methylamino)ethyl]carbamate
Synonyms
tert-Butyl 2-(methylamino)ethylcarbamate
CAS Number
122734-32-1
MDL Number
MFCD06808585
PubChem SID
162033616
PubChem CID
3435744

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3435744 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.481636  H Acceptors
H Donor LogD (pH = 5.5) -2.6803572 
LogD (pH = 7.4) -1.6403749  Log P 0.5022351 
Molar Refractivity 47.5162 cm3 Polarizability 18.901976 Å3
Polar Surface Area 50.36 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT 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