Home > Compound List > Compound details
203192-99-8 molecular structure
click picture or here to close

oxalic acid diethyl (3-aminopropyl)phosphonate

ChemBase ID: 74902
Molecular Formular: C9H20NO7P
Molecular Mass: 285.231361
Monoisotopic Mass: 285.09773862
SMILES and InChIs

SMILES:
OC(=O)C(=O)O.P(=O)(OCC)(OCC)CCCN
Canonical SMILES:
OC(=O)C(=O)O.NCCCP(=O)(OCC)OCC
InChI:
InChI=1S/C7H18NO3P.C2H2O4/c1-3-10-12(9,11-4-2)7-5-6-8;3-1(4)2(5)6/h3-8H2,1-2H3;(H,3,4)(H,5,6)
InChIKey:
UHYZWFFFPJEMAS-UHFFFAOYSA-N

Cite this record

CBID:74902 http://www.chembase.cn/molecule-74902.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
oxalic acid diethyl (3-aminopropyl)phosphonate
IUPAC Traditional name
oxalic acid diethyl 3-aminopropylphosphonate
Synonyms
Diethyl (3-aminoprop-1-yl)phosphonate oxalate 90%
Diethyl (3-aminoprop-1-yl)phosphonate oxalate 98%
CAS Number
203192-99-8
MDL Number
MFCD00800257
PubChem SID
162039820
PubChem CID
2733597

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2733597 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.310346  LogD (pH = 7.4) -2.7570798 
Log P -0.112081885  Molar Refractivity 48.5788 cm3
Polarizability 19.85998 Å3 Polar Surface Area 61.55 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant 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