N-Isopropylbenzylamine - CAS 102-97-6
Catalog: |
BB000980 |
Product Name: |
N-Isopropylbenzylamine |
CAS: |
102-97-6 |
Synonyms: |
N-benzylpropan-2-amine |
IUPAC Name: | N-benzylpropan-2-amine |
Description: | N-Isopropylbenzylamine, can be used as an intermediate in the synthesis of pharmaceutical compounds,and as a precursor to the manufacture of some drugs. Due to it's similarity in appearance and physical properties to methamphetamine, it has been recently come under consideration of DEA. |
Molecular Weight: | 149.23 |
Molecular Formula: | C10H15N |
Canonical SMILES: | CC(C)NCC1=CC=CC=C1 |
InChI: | InChI=1S/C10H15N/c1-9(2)11-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3 |
InChI Key: | LYBKPDDZTNUNNM-UHFFFAOYSA-N |
Boiling Point: | 200 °C |
Flash Point: | 87°C |
Purity: | 97 % |
Density: | 0.892 g/cm3 |
Appearance: | Colorless clear liquid |
Storage: | Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00008863 |
LogP: | 2.57550 |
Refractive Index: | 1.502 |
Stability: | Stable under normal temperatures and pressures. |
Vapor Pressure: | 0.332mmHg at 25°C |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21942718 | 20111104 | Lewis acid-promoted three-component reactions of propargylic alcohols with 2-butynedioates and secondary amines | The Journal of organic chemistry |
21579221 | 20100428 | Monoclinic modification of N-benzyl-propan-2-aminium chloride | Acta crystallographica. Section E, Structure reports online |
21580446 | 20100227 | N-Benzyl-propan-2-aminium chloride | Acta crystallographica. Section E, Structure reports online |
21583817 | 20090430 | Bis(N-benzyl-N-isopropyl-dithio-carbamato-κS)di-n-butyl-tin(IV) | Acta crystallographica. Section E, Structure reports online |
12236729 | 20020925 | Intramolecular and intermolecular N-H...C(5)H(5)(-) hydrogen bonding in magnesocene adducts of alkylamines. Implications for chemical vapor deposition using cyclopentadienyl source compounds | Journal of the American Chemical Society |
Complexity: | 93 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 149.120449483 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 149.120449483 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 12 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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