3-Phenyl-1-propylamine - CAS 2038-57-5
Catalog: |
BB015874 |
Product Name: |
3-Phenyl-1-propylamine |
CAS: |
2038-57-5 |
Synonyms: |
3-phenylpropan-1-amine |
IUPAC Name: | 3-phenylpropan-1-amine |
Description: | 3-Phenyl-1-propylamine (CAS# 2038-57-5) is an compound used for the synthesis of various pharmaceuticals. |
Molecular Weight: | 135.21 |
Molecular Formula: | C9H13N |
Canonical SMILES: | C1=CC=C(C=C1)CCCN |
InChI: | InChI=1S/C9H13N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,10H2 |
InChI Key: | LYUQWQRTDLVQGA-UHFFFAOYSA-N |
Boiling Point: | 221 °C |
Density: | 0.95 g/cm3 |
Appearance: | Colorless to yellow liquid |
MDL: | MFCD00008224 |
LogP: | 2.27820 |
Vapor Pressure: | 0.11 [mmHg] |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
22727117 | 20120901 | Benzaldehyde is a precursor of phenylpropylamino alkaloids as revealed by targeted metabolic profiling and comparative biochemical analyses in Ephedra spp | Phytochemistry |
22495440 | 20120501 | Naturally occurring norephedrine oxazolidine derivatives in khat (Catha edulis) | Planta medica |
22215969 | 20111001 | Expressed sequence tag analysis of khat (Catha edulis) provides a putative molecular biochemical basis for the biosynthesis of phenylpropylamino alkaloids | Genetics and molecular biology |
20798084 | 20110801 | Clinical characteristics of mephedrone toxicity reported to the U.K. National Poisons Information Service | Emergency medicine journal : EMJ |
22072933 | 20110101 | Comparative Molecular Field Analysis (CoMFA) and Comparative Molecular Similarity Indices Analysis (CoMSIA) studies on α(1A)-adrenergic receptor antagonists based on pharmacophore molecular alignment | International journal of molecular sciences |
Complexity: | 74.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 135.104799419 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 135.104799419 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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