cis-4-Chloro-2-butenylamine hydrochloride - CAS 7153-66-4
Catalog: |
BB034421 |
Product Name: |
cis-4-Chloro-2-butenylamine hydrochloride |
CAS: |
7153-66-4 |
Synonyms: |
(Z)-4-chlorobut-2-en-1-amine;hydrochloride |
IUPAC Name: | (Z)-4-chlorobut-2-en-1-amine;hydrochloride |
Description: | cis-4-Chloro-2-butenylamine hydrochloride (CAS# 7153-66-4) is a chemokine CXCR4 receptor modulators. |
Molecular Weight: | 142.03 |
Molecular Formula: | C4H9Cl2N |
Canonical SMILES: | C(C=CCCl)N.Cl |
InChI: | InChI=1S/C4H8ClN.ClH/c5-3-1-2-4-6;/h1-2H,3-4,6H2;1H/b2-1-; |
InChI Key: | ZGCNYBMDGKVWFH-ODZAUARKSA-N |
Boiling Point: | 172.5 °C at 760 mmHg |
Density: | 1.022 g/cm3 |
MDL: | MFCD00239421 |
LogP: | 2.24240 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CA-2522535-C | Chemokine receptor binding heterocyclic compounds with enhanced efficacy | 20030523 |
EP-1628533-A2 | Chemokine receptor binding heterocyclic compounds with enhanced efficacy | 20030523 |
JP-2007502864-A | Chemokine receptor-bound heterocyclic compounds with enhanced efficacy | 20030523 |
WO-2004106493-A2 | Chemokine receptor binding heterocyclic compounds with enhanced efficacy | 20030523 |
AU-2002357379-A1 | Chemokine receptor binding heterocyclic compounds with enhanced efficacy | 20011221 |
Complexity: | 42.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 141.0112047 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 141.0112047 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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