N-Propylethylenediamine - CAS 111-39-7
Catalog: |
BB002758 |
Product Name: |
N-Propylethylenediamine |
CAS: |
111-39-7 |
Synonyms: |
N'-propylethane-1,2-diamine |
IUPAC Name: | N'-propylethane-1,2-diamine |
Description: | N-Propylethylenediamine (CAS# 111-39-7) is a useful research chemical. |
Molecular Weight: | 102.18 |
Molecular Formula: | C5H14N2 |
Canonical SMILES: | CCCNCCN |
InChI: | InChI=1S/C5H14N2/c1-2-4-7-5-3-6/h7H,2-6H2,1H3 |
InChI Key: | CFNHVUGPXZUTRR-UHFFFAOYSA-N |
Boiling Point: | 147-150 ℃ (lit.) |
Purity: | 95 % |
Density: | 0.829 g/mL at 25 ℃ (lit.) |
Storage: | Flammables area |
MDL: | MFCD00008172 |
LogP: | 1.03590 |
GHS Hazard Statement: | H226 (97.67%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P312, P321, P332+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
23065997 | 20121101 | Simultaneous determination of 17 phthalate esters in edible vegetable oils by GC-MS with silica/PSA-mixed solid-phase extraction | Journal of separation science |
22943907 | 20120601 | [The determination of phthalic acid esters in edible vegetable oils by gas chromatography-mass spectrometry] | Zhonghua yu fang yi xue za zhi [Chinese journal of preventive medicine] |
20678647 | 20100815 | Evaluation of performance of three different hybrid mesoporous solids based on silica for preconcentration purposes in analytical chemistry: From the study of sorption features to the determination of elements of group IB | Talanta |
19338374 | 20090520 | Derivatized mesoporous silica beads for MALDI-TOF MS profiling of human plasma and urine | Bioconjugate chemistry |
19268955 | 20090501 | Dispersive solid-phase extraction followed by liquid chromatography-tandem mass spectrometry for the multi-residue analysis of pesticides in raw bovine milk | Journal of chromatography. A |
Complexity: | 29.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 102.115698455 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 102.115698455 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 38 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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