1H-Indole-3-propanamine - CAS 6245-89-2
Catalog: |
BB031598 |
Product Name: |
1H-Indole-3-propanamine |
CAS: |
6245-89-2 |
Synonyms: |
3-(1H-indol-3-yl)-1-propanamine; 3-(1H-indol-3-yl)propan-1-amine |
IUPAC Name: | 3-(1H-indol-3-yl)propan-1-amine |
Description: | 1H-Indole-3-propanamine (CAS# 6245-89-2) is a useful research chemical. |
Molecular Weight: | 174.24 |
Molecular Formula: | C11H14N2 |
Canonical SMILES: | C1=CC=C2C(=C1)C(=CN2)CCCN |
InChI: | InChI=1S/C11H14N2/c12-7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7,12H2 |
InChI Key: | OOIAXMPVZJKJHK-UHFFFAOYSA-N |
Boiling Point: | 353.725 °C at 760 mmHg |
Density: | 1.125 g/cm3 |
MDL: | MFCD00130194 |
LogP: | 3.06280 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-20210093155-A | Novel compound, preparation method thereof, and use thereof | 20200117 |
WO-2021145729-A1 | Novel compound, preparation method thereof, and use thereof | 20200117 |
CN-111018771-A | Method for synthesizing 3- (2-cyanovinyl) indole derivative | 20181009 |
EP-3472162-A1 | Heteroaryl estrogen receptor modulators and uses thereof | 20160616 |
US-10654867-B2 | Heteroaryl estrogen receptor modulators and uses thereof | 20160616 |
PMID | Publication Date | Title | Journal |
22823278 | 20120815 | Metabolism and metabolites of dithiocarbamates in the plant pathogenic fungus Leptosphaeria maculans | Journal of agricultural and food chemistry |
21687347 | 20110401 | Antidepressant potential of nitrogen-containing heterocyclic moieties: An updated review | Journal of pharmacy & bioallied sciences |
21334895 | 20110315 | Biotin tethered homotryptamine derivatives: high affinity probes of the human serotonin transporter (hSERT) | Bioorganic & medicinal chemistry letters |
20949929 | 20101111 | Conformationally restricted homotryptamines. Part 7: 3-cis-(3-aminocyclopentyl)indoles as potent selective serotonin reuptake inhibitors | Journal of medicinal chemistry |
20034793 | 20100201 | Synthesis and hSERT activity of homotryptamine analogs. Part 6: [3+2] dipolar cycloaddition of 3-vinylindoles | Bioorganic & medicinal chemistry letters |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.115698455 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.115698455 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 41.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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