2-piperidinobenzylamine - CAS 72752-54-6
Catalog: |
BB034681 |
Product Name: |
2-piperidinobenzylamine |
CAS: |
72752-54-6 |
Synonyms: |
[2-(1-piperidinyl)phenyl]methanamine; (2-piperidin-1-ylphenyl)methanamine |
IUPAC Name: | (2-piperidin-1-ylphenyl)methanamine |
Description: | 2-piperidinobenzylamine (CAS# 72752-54-6) is a useful research chemical. |
Molecular Weight: | 190.28 |
Molecular Formula: | C12H18N2 |
Canonical SMILES: | C1CCN(CC1)C2=CC=CC=C2CN |
InChI: | InChI=1S/C12H18N2/c13-10-11-6-2-3-7-12(11)14-8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-10,13H2 |
InChI Key: | VNNYEXSABSADDW-UHFFFAOYSA-N |
Boiling Point: | 329.5 °C at 760 mmHg |
Density: | 1.047 g/cm3 |
MDL: | MFCD02682071 |
LogP: | 2.90090 |
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, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-3821947-A1 | Heterocyclic trpml1 agonists | 20191113 |
WO-2021094974-A1 | Heterocyclic trpml1 agonists | 20191113 |
WO-2021041866-A1 | Small molecule agonists of mucolipin 1 and uses thereof | 20190830 |
CA-3050056-A1 | Rorgamma modulators and uses thereof | 20170127 |
CA-2969164-A1 | Heterocyclic derivatives as rorgamma modulators | 20141223 |
Complexity: | 164 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.146998583 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.146998583 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 29.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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Related Functional Groups
Amines and Anilines
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