Home > Compound List > Compound details
14496-27-6 molecular structure
click picture or here to close

(2,5-dimethoxy-2,5-dihydrofuran-2-yl)methanamine

ChemBase ID: 78537
Molecular Formular: C7H13NO3
Molecular Mass: 159.18302
Monoisotopic Mass: 159.08954328
SMILES and InChIs

SMILES:
O1C(OC)C=CC1(OC)CN
Canonical SMILES:
COC1C=CC(O1)(OC)CN
InChI:
InChI=1S/C7H13NO3/c1-9-6-3-4-7(5-8,10-2)11-6/h3-4,6H,5,8H2,1-2H3
InChIKey:
JSTZGHLHHVUXOT-UHFFFAOYSA-N

Cite this record

CBID:78537 http://www.chembase.cn/molecule-78537.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2,5-dimethoxy-2,5-dihydrofuran-2-yl)methanamine
IUPAC Traditional name
(2,5-dimethoxy-5H-furan-2-yl)methanamine
Synonyms
(2,5-Dihydro-2,5-dimethoxyfur-2-yl)methylamine
2-(Aminomethyl)-2,5-dihydro-2,5-dimethoxyfuran
2,5-Dihydro-2,5-dimethoxyfurfurylamine,mixture of isomers
2,5-二氢-2,5-二甲氧基糠胺(异构体混合物)
CAS Number
14496-27-6
MDL Number
MFCD00082196
PubChem SID
162043300
PubChem CID
3784721

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3784721 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.3336077  LogD (pH = 7.4) -0.84055364 
Log P 0.47536844  Molar Refractivity 40.9817 cm3
Polarizability 16.287273 Å3 Polar Surface Area 53.71 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
204.8 °F expand Show data source
96 °C expand Show data source
96°C expand Show data source
Storage Warning
Irritant 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
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
99% expand Show data source
Empirical Formula (Hill Notation)
C7H13NO3 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