Home > Compound List > Compound details
4426-24-8 molecular structure
click picture or here to close

1-[bis(pyrrolidin-1-yl)boranyl]pyrrolidine

ChemBase ID: 139462
Molecular Formular: C12H24BN3
Molecular Mass: 221.15006
Monoisotopic Mass: 221.20632818
SMILES and InChIs

SMILES:
B(N1CCCC1)(N1CCCC1)N1CCCC1
Canonical SMILES:
C1CCN(C1)B(N1CCCC1)N1CCCC1
InChI:
InChI=1S/C12H24BN3/c1-2-8-14(7-1)13(15-9-3-4-10-15)16-11-5-6-12-16/h1-12H2
InChIKey:
JQUDDMWQHIFUQI-UHFFFAOYSA-N

Cite this record

CBID:139462 http://www.chembase.cn/molecule-139462.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[bis(pyrrolidin-1-yl)boranyl]pyrrolidine
IUPAC Traditional name
1-[bis(pyrrolidin-1-yl)boranyl]pyrrolidine
Synonyms
Tris(pyrrolidino)borane
三(四氢吡咯)硼烷
CAS Number
4426-24-8
MDL Number
MFCD04039983
PubChem SID
162233710
24881284
PubChem CID
4121732

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
590541 external link Add to cart Please log in.
Data Source Data ID
PubChem 4121732 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.3520147  LogD (pH = 7.4) 0.34643596 
Log P 1.4414  Molar Refractivity 64.3032 cm3
Polarizability 27.248604 Å3 Polar Surface Area 9.72 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
56-60 °C(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C12H24BN3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 590541 external link
Packaging
1 g in glass bottle

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