Structure

Cloricromene

CAS
74697-28-2
Catalog Number
ACM74697282
Category
Other Products
Molecular Weight
432.34
Molecular Formula
C20H26ClNO5??·HCl

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Specification

Synonyms
Cloricromen hydrochloride, DSSTox_CID_26499, DSSTox_RID_81668, DSSTox_GSID_46499, 8-Chloro-3-(2-diethylaminoethyl)-7-ethoxycarbonylmethoxy-4-methylcoumarin hydrochloride, CAS-74697-28-2, NCGC00165769-02, AD6, Proendotel (TN), Cloricromen hydrohloride, C4615_SIGMA, Tox21_112260, Tox21_112260_1, NCGC00165769-03, 74697-28-2, D07736
IUPAC Name
ethyl 2-[8-chloro-3-[2-(diethylamino)ethyl]-4-methyl-2-oxochromen-7-yl]oxyacetate;hydrochloride
Canonical SMILES
CCN(CC)CCC1=C(C2=C(C(=C(C=C2)OCC(=O)OCC)Cl)OC1=O)C.Cl
InChI Key
CCCZJRFQJNGCCU-UHFFFAOYSA-N
Boiling Point
538ºC at 760 mmHg
Melting Point
221-222.3ºC
Flash Point
279.2ºC
Exact Mass
431.12700
Hazard Statements
Xn: Harmful;
H-Bond Acceptor
6
H-Bond Donor
1
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