Home > Compound List > Compound details
66415-55-2 molecular structure
click picture or here to close

3-(ethenyloxy)propan-1-amine

ChemBase ID: 138695
Molecular Formular: C5H11NO
Molecular Mass: 101.14694
Monoisotopic Mass: 101.08406398
SMILES and InChIs

SMILES:
C=COCCCN
Canonical SMILES:
NCCCOC=C
InChI:
InChI=1S/C5H11NO/c1-2-7-5-3-4-6/h2H,1,3-6H2
InChIKey:
JPVNTYZOJCDQBK-UHFFFAOYSA-N

Cite this record

CBID:138695 http://www.chembase.cn/molecule-138695.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(ethenyloxy)propan-1-amine
IUPAC Traditional name
3-(ethenyloxy)propan-1-amine
Synonyms
3-Amino-1-propanol vinyl ether
3-氨基-1-丙醇乙烯基醚
CAS Number
66415-55-2
MDL Number
MFCD00191751
PubChem SID
162232946
PubChem CID
4386396

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
410063 external link Add to cart Please log in.
Data Source Data ID
PubChem 4386396 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.1302466  LogD (pH = 7.4) -2.667827 
Log P -0.10780024  Molar Refractivity 29.5199 cm3
Polarizability 11.917778 Å3 Polar Surface Area 35.25 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
76 °C(lit.) expand Show data source
Flash Point
102.2 °F expand Show data source
39 °C expand Show data source
Density
0.89 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.445(lit.) expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
2920 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
10-34 expand Show data source
Safety Statements
16-23-26-36/37/39-45 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H226-H314 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2920 8/PG 2 expand Show data source
Purity
96% expand Show data source
Linear Formula
H2C=CHO(CH2)3NH2 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