Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Others
3-Furanamine, tetrahydro-N-2-propyn-1-yl- structure
3-Furanamine, tetrahydro-N-2-propyn-1-yl- structure

3-Furanamine, tetrahydro-N-2-propyn-1-yl-

CAS No.: 2718-25-4
Molecular Weight:383.4
Modify Date.: 2022-02-11 22:50
1. Names and Identifiers
1.1 Name
3-Furanamine, tetrahydro-N-2-propyn-1-yl-
1.2 Synonyms

n-(prop-2-yn-1-yl)oxolan-3-amine

1.3 CAS No.
2718-25-4
1.4 CID
197775
1.5 Molecular Formula
C10H18O3 (isomer)
1.6 Inchi
InChI=1S/C21H21NO6/c1-22-6-5-11-7-15-16(26-9-25-15)8-13(11)19-18(22)12-3-4-14-20(27-10-24-14)17(12)21(23-2)28-19/h3-4,7-8,18-19,21H,5-6,9-10H2,1-2H3/t18-,19-,21+/m1/s1
1.7 InChkey
XRBIHOLQAKITPP-SBHAEUEKSA-N
1.8 Canonical Smiles
CN1CCC2=CC3=C(C=C2C4C1C5=C(C(O4)OC)C6=C(C=C5)OCO6)OCO3
1.9 Isomers Smiles
CN1CCC2=CC3=C(C=C2[C@@H]4[C@H]1C5=C([C@H](O4)OC)C6=C(C=C5)OCO6)OCO3
2. Properties
3.1 Melting point
222°C
3.1 Refractive index
1.674
3.1 Vapour pressure
1.01E-09mmHg at 25°C
3.1 Precise Quality
383.13700
3.1 PSA
58.62000
3.1 logP
3.02740
3.1 pKa
7.20±0.20(Predicted)
3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

4. Computational chemical data
  • Molecular Weight: 383.4g/mol
  • Molecular Formula: C10H18O3
  • Compound Is Canonicalized: True
  • XLogP3-AA: 2.4
  • Exact Mass: 383.13688739
  • Monoisotopic Mass: 383.13688739
  • Complexity: 591
  • Rotatable Bond Count: 1
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Topological Polar Surface Area: 58.6
  • Heavy Atom Count: 28
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
5. Recommended Suppliers
Global8SuppliersView all >>
  • Products:1451-82-7 236117-38-7 49851-31-2 124878-55-3 20388-87-8 22374-89-6 28578-16-7 52190-28-0 2836-82-0 288573-56-8 20320-59-6
  • Tel:+86-311-85355123
  • Email:zhuangkai@zk-chem.com
RHOEADINE
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2022/06/30
Inquire
  • Tel:86-431-81915458
RHOEADINE
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/02/25
Inquire
  • Tel:+86-0311-66562153
RHOEADINE
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/02/23
Inquire
  • Tel:+86-21-67811725
(+)-Rheadine manufacturer
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/02/23
Inquire
  • Tel:86-21-68404353-215
Rhoeadine
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/02/23
Inquire