N-(Diphenylmethylene)aminoacetonitrile - CAS 70591-20-7
Catalog: |
BB034187 |
Product Name: |
N-(Diphenylmethylene)aminoacetonitrile |
CAS: |
70591-20-7 |
Synonyms: |
2-(benzhydrylideneamino)acetonitrile |
IUPAC Name: | 2-(benzhydrylideneamino)acetonitrile |
Description: | N-(Diphenylmethylene)aminoacetonitrile (CAS# 70591-20-7) is a reagent for α-amino acids using transition metal catalysis. It can also be used to synthesize Cathepsin B inhibitors. |
Molecular Weight: | 220.27 |
Molecular Formula: | C15H12N2 |
Canonical SMILES: | C1=CC=C(C=C1)C(=NCC#N)C2=CC=CC=C2 |
InChI: | InChI=1S/C15H12N2/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,12H2 |
InChI Key: | VRLJFRODHVSTIK-UHFFFAOYSA-N |
Boiling Point: | 343.6 ℃ at 760 mmHg |
Purity: | 98 % |
Density: | 1 g/cm3 |
MDL: | MFCD00009970 |
LogP: | 3.04758 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021207634-A1 | Biomarkers related to parkinson's disease and methods of using the same | 20200410 |
WO-2020118163-A1 | Decarboxylase inhibitors for treating parkinson's disease | 20181206 |
CN-113302176-A | Decarboxylase inhibitors for the treatment of parkinson's disease | 20181206 |
EP-3891122-A1 | Decarboxylase inhibitors for treating parkinson's disease | 20181206 |
KR-20210112319-A | Decarboxylase inhibitors to treat Parkinson's disease | 20181206 |
Complexity: | 278 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.100048391 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.100048391 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 36.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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