3-Ethynylaniline Hydrochloride - CAS 207226-02-6
Catalog: |
BB016219 |
Product Name: |
3-Ethynylaniline Hydrochloride |
CAS: |
207226-02-6 |
Synonyms: |
3-ethynylaniline;hydrochloride; 3-ethynylaniline;hydrochloride |
IUPAC Name: | 3-ethynylaniline;hydrochloride |
Description: | 3-Ethynylaniline Hydrochloride (CAS# 207226-02-6 ) is a useful research chemical. |
Molecular Weight: | 153.61 |
Molecular Formula: | C8H8ClN |
Canonical SMILES: | C#CC1=CC(=CC=C1)N.Cl |
InChI: | InChI=1S/C8H7N.ClH/c1-2-7-4-3-5-8(9)6-7;/h1,3-6H,9H2;1H |
InChI Key: | CUNYDQJCQAWKLK-UHFFFAOYSA-N |
Boiling Point: | 275.5 ℃ at 760 mmHg |
LogP: | 2.63330 |
GHS Hazard Statement: | H302+H312+H332 (33.33%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] |
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-2019136442-A1 | Cd16a binding agents and uses thereof | 20180108 |
CN-107175134-A | It is a kind of to be used to prepare 3-aminophenylacetylene or the composition of its salt and application thereof | 20170531 |
CN-107175134-B | It is a kind of to be used to prepare 3-aminophenylacetylene or the composition of its salt and application thereof | 20170531 |
AU-2015238837-A1 | Process for the preparation of Erlotinib | 20141028 |
BR-102015027236-A2 | Process for the preparation of erlotinib | 20141028 |
Complexity: | 131 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 153.0345270 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 153.0345270 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Amines and Anilines
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