Home > Compound List > Compound details
896464-16-7 molecular structure
click picture or here to close

tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate

ChemBase ID: 65224
Molecular Formular: C12H22N2O2
Molecular Mass: 226.31528
Monoisotopic Mass: 226.16812795
SMILES and InChIs

SMILES:
C12(CNC1)CCN(CC2)C(=O)OC(C)(C)C
Canonical SMILES:
O=C(N1CCC2(CC1)CNC2)OC(C)(C)C
InChI:
InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-6-4-12(5-7-14)8-13-9-12/h13H,4-9H2,1-3H3
InChIKey:
NRADOPGBTAJXKB-UHFFFAOYSA-N

Cite this record

CBID:65224 http://www.chembase.cn/molecule-65224.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate
IUPAC Traditional name
tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate
Synonyms
2,7-Diazaspiro[3.5]nonane-7-carboxylic acid tert-butyl ester
tert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate
2,7-Diazaspiro[3.5]nonane-7-carboxylic acid 1,1-diMethyl ethyl ester
CAS Number
896464-16-7
MDL Number
MFCD09839640
PubChem SID
162030963
PubChem CID
24820512

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.4132686  LogD (pH = 7.4) -1.7874163 
Log P 0.8104803  Molar Refractivity 62.5744 cm3
Polarizability 24.80672 Å3 Polar Surface Area 41.57 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
95+% expand Show data source
97% expand Show data source
98% 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