4-(2-Aminoethyl)benzonitrile hydrochloride - CAS 167762-80-3
Catalog: |
BB012418 |
Product Name: |
4-(2-Aminoethyl)benzonitrile hydrochloride |
CAS: |
167762-80-3 |
Synonyms: |
4-(2-aminoethyl)benzonitrile;hydrochloride |
IUPAC Name: | 4-(2-aminoethyl)benzonitrile;hydrochloride |
Description: | 4-(2-Aminoethyl)benzonitrile hydrochloride (CAS# 167762-80-3) is a useful research chemical. |
Molecular Weight: | 182.65 |
Molecular Formula: | C9H10N2 · HCl |
Canonical SMILES: | C1=CC(=CC=C1CCN)C#N.Cl |
InChI: | InChI=1S/C9H10N2.ClH/c10-6-5-8-1-3-9(7-11)4-2-8;/h1-4H,5-6,10H2;1H |
InChI Key: | LTYHPCKZVFOVCH-UHFFFAOYSA-N |
Boiling Point: | 319.5 °C at 760 mmHg |
Purity: | 98 % |
MDL: | MFCD09878803 |
LogP: | 2.56178 |
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, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021021893-A1 | Compounds for use in treating neurological disorders | 20190729 |
TW-202045492-A | P300/cbp hat inhibitors and methods for their use | 20190227 |
WO-2020176558-A1 | P300/cbp hat inhibitors and methods for their use | 20190227 |
TW-202000658-A | P300/CBP HAT inhibitors and methods for their use | 20180216 |
WO-2019161162-A1 | P300/cbp hat inhibitors | 20180216 |
Complexity: | 148 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.0610761 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.0610761 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 49.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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