Home > Compound List > Compound details
12013-82-0 molecular structure
click picture or here to close

calcium bis(calciumylideneazanide)

ChemBase ID: 109369
Molecular Formular: Ca3N2
Molecular Mass: 148.2474
Monoisotopic Mass: 147.89392095
SMILES and InChIs

SMILES:
[Ca+2].[N-]=[Ca].[N-]=[Ca]
Canonical SMILES:
[Ca]=[N-].[Ca]=[N-].[Ca+2]
InChI:
InChI=1S/3Ca.2N/q;;+2;2*-1
InChIKey:
XCNGEWCFFFJZJT-UHFFFAOYSA-N

Cite this record

CBID:109369 http://www.chembase.cn/molecule-109369.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
calcium bis(calciumylideneazanide)
IUPAC Traditional name
calcium(2+) bis(calciumylideneazanide)
Synonyms
CALCIUM NITRIDE
CAS Number
12013-82-0
EC Number
234-592-9
PubChem SID
162094960
PubChem CID
6100390

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05210802 external link Add to cart Please log in.
Data Source Data ID
PubChem 6100390 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.8840458  LogD (pH = 7.4) -0.7553018 
Log P -0.6799  Molar Refractivity 1.4429 cm3
Polarizability 3.7081494 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Flammable Flammable (F) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
R:10 expand Show data source
Safety Statements
S:9-16-29 expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05210802 external link
MP Biomedicals Rare Chemical collection

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