N-(Adamantan-1-Yl)-2-Chloroacetamide 1-氯乙酰氨基金刚烷

CAS 5689-59-8 MFCD01733430

化学结构图

5689-59-8
SMILES: O=C(CCl)NC12CC3CC(CC(C3)C1)C2

化学属性

Mol. FormulaC12H18ClNO
Mol. Weight227.73
Melting Point120-121 °C
Boiling Point385.3±21.0 °C at 760 mmHg

别名和识别编码

Chemical NameN-(Adamantan-1-Yl)-2-Chloroacetamide
CAS Number5689-59-8
Alfabeta NameADAMANTANYLCHLOROACETAMIDE N12------
MDL NumberMFCD01733430
Chemical Name Translation1-氯乙酰氨基金刚烷
InChIKeyPJRVXDKETNCCKR-UHFFFAOYSA-N
Wiswesser Line NotationL66 B6/B-H/DI A B- C 1B ITJ BMV1G
Synonym N-(1-adamantyl)-2-chloroacetamide {LY} N-(1-adamantyl)-2-chloroacetamide {} {LY} N-(1-adamantyl)-2-chloroacetamide {} {} {LY} N-(1-adamantyl)-2-chloroacetamide {} {} {} {LY} N-(1-adamantyl)-2-chloroacetamide {} {} {} {} {LY} N-(1-adamantyl)-2-chloroacetamide {} {} {} {} {} {LY} N-(1-adamantyl)-2-chloroacetamide {} {} {} {} {} {} {LY} N-(1-adamantyl)-2-chloroacetamide {} {} {} {} {} {} {} {LY} N-(1-adamantyl)-2-chloroacetamide {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {LY} N-(1-adamantyl)-2-chloroacetamide {} {} {} {} {} {} {} {} {} {LY} N-(1-adamantyl)-2-chloroacetamide {} {} {} {} {} {} {} {} {} {} {LY} N-(1-adamantyl)-2-chloroacetamide {} {} {} {} {} {} {} {} {} {} {} {LY} N-(1-adamantyl)-2-chloroacetamide {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-(1-adamantyl)-2-chloroacetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-(1-adamantyl)-2-chloroacetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-(1-adamantyl)-2-chloroacetamide {} {} {} {} {} {
Beilstein Registry Number2939500
PubChem Substance ID64161
InChIInChI=1S/C12H18ClNO/c13-7-11(15)14-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2,(H,14,15)
LabNetwork Molecule IDLN03298084
Canonical SMILESO=C(CCl)NC12C[C@H]3C[C@@H](C2)C[C@@H](C1)C3
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安全信息

Warnings IRRITANT
RTECSAB4309000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 760 mg/kg
TOXIC EFFECTS :
   Behavioral - rigidity (including catalepsy)
   Behavioral - antipsychotic
REFERENCE :
   PCJOAU Pharmaceutical Chemistry Journal (English Translation).  Translation
   of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013)  No.1-
   1967-  Volume(issue)/page/year: 14,185,1980

Storage condition

系列性分类

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