N-(3-Butenyl)benzylamine - CAS 17150-62-8
Catalog: |
BB012752 |
Product Name: |
N-(3-Butenyl)benzylamine |
CAS: |
17150-62-8 |
Synonyms: |
N-(phenylmethyl)-3-buten-1-amine; N-benzylbut-3-en-1-amine |
IUPAC Name: | N-benzylbut-3-en-1-amine |
Description: | N-(3-Butenyl)benzylamine (CAS# 17150-62-8) is a useful research chemical. |
Molecular Weight: | 161.24 |
Molecular Formula: | C11H15N |
Canonical SMILES: | C=CCCNCC1=CC=CC=C1 |
InChI: | InChI=1S/C11H15N/c1-2-3-9-12-10-11-7-5-4-6-8-11/h2,4-8,12H,1,3,9-10H2 |
InChI Key: | DGTNEDHBSGFIBX-UHFFFAOYSA-N |
Boiling Point: | 235.7 °C at 760 mmHg |
Density: | 0.917 g/cm3 |
MDL: | MFCD01249643 |
LogP: | 2.74320 |
Publication Number | Title | Priority Date |
US-2021188828-A1 | Compounds active towards nuclear receptors | 20191220 |
WO-2021124277-A1 | Compounds active towards nuclear receptors | 20191220 |
US-2020317627-A1 | Catalytic systems for stereoselective synthesis of chiral amines by enantiodivergent radical c-h amination | 20190405 |
AU-2017343643-A1 | HPPK inhibitors useful as antibacterial agents | 20161011 |
CA-3039997-A1 | Hppk inhibitors useful as antibacterial agents | 20161011 |
Complexity: | 114 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.120449483 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.120449483 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 12 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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