1-Phenylethane-1,2-diamine Dihydrochloride - CAS 16635-94-2
Catalog: |
BB012275 |
Product Name: |
1-Phenylethane-1,2-diamine Dihydrochloride |
CAS: |
16635-94-2 |
Synonyms: |
1-phenylethane-1,2-diamine;dihydrochloride; 1-phenylethane-1,2-diamine;dihydrochloride |
IUPAC Name: | 1-phenylethane-1,2-diamine;dihydrochloride |
Description: | 1-Phenylethane-1,2-diamine Dihydrochloride (CAS# 16635-94-2) is used in the preparation of benzamide compounds as CGRP receptor antagonists which are useful for the treatment of migraines. |
Molecular Weight: | 209.12 |
Molecular Formula: | C8H14Cl2N2 |
Canonical SMILES: | C1=CC=C(C=C1)C(CN)N.Cl.Cl |
InChI: | InChI=1S/C8H12N2.2ClH/c9-6-8(10)7-4-2-1-3-5-7;;/h1-5,8H,6,9-10H2;2*1H |
InChI Key: | ZVHIGOVJILOQNV-UHFFFAOYSA-N |
LogP: | 3.64970 |
Publication Number | Title | Priority Date |
EP-3365324-A1 | Synthesis of cyclohexane carboxamide derivatives useful as sensates in consumer products | 20151022 |
WO-2017070418-A1 | Synthesis of cyclohexane carboxamide derivatives useful as sensates in consumer products | 20151022 |
WO-2015161011-A1 | Benzamide cgrp receptor antagonists | 20140417 |
EP-2925747-A1 | Azaquinazoline carboxamide derivatives | 20121129 |
EP-2925747-B1 | Azaquinazoline carboxamide derivatives | 20121129 |
Complexity: | 87.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.0534038 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.0534038 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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Amines and Anilines
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