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N1,N1-Bis(2-chloroethyl)-N4-(6-chloro-2-methoxy-9-acridinyl)-1,4-pentanediamine

HCID 20194
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
64046-79-3
標準SMILES
COc1ccc2nc3cc(Cl)ccc3c(NC(C)CCCN(CCCl)CCCl)c2c1
InChIKey
UKOBAUFLOGFCMV-UHFFFAOYSA-N
分子式
C23H28Cl3N3O
平均分子量
468.8 g/mol
単同位体質量
467.129796

概要

Quinacrine mustard is a nitrogen mustard and a member of aminoacridines. It is functionally related to a quinacrine.

名称と識別子

優先名称
N1,N1-Bis(2-chloroethyl)-N4-(6-chloro-2-methoxy-9-acridinyl)-1,4-pentanediamine
IUPAC
1-N,1-N-bis(2-chloroethyl)-4-N-(6-chloro-2-methoxyacridin-9-yl)pentane-1,4-diamine

名称と別名

quinacrine mustard64046-79-3NSC-34248Y3YQP8GW61,4-Pentanediamine, N1,N1-bis(2-chloroethyl)-N4-(6-chloro-2-methoxy-9-acridinyl)-CHEBI:37595N1,N1-bis(2-Chloroethyl)-N4-(6-chloro-2-methoxy-9-acridinyl)-1,4-pentanediamineN(1),N(1)-bis(2-chloroethyl)-N(4)-(6-chloro-2-methoxyacridin-9-yl)pentane-1,4-diamineACRIDINE, 9-((4-(BIS(2-CHLOROETHYL)AMINO)-1-METHYLBUTYL)AMINO)-6-CHLORO-2-METHOXY-N1,N1-BIS(2-CHLOROETHYL-N4-(6-CHLORO-2-METHOXY-9-ACRIDINYL)-1,4-PENTANEDIAMINEYperite, AcrichineMustard, Quinacrine
名称をさらに表示
RefChem:9273581,4-Pentanediamine, N1,N1-bis(2-chloroethyl)-N4-(6-chloro-2-methoxy-9-acridinyl)-, dihydrochloride1-N,1-N-bis(2-chloroethyl)-4-N-(6-chloro-2-methoxyacridin-9-yl)pentane-1,4-diamineN4-(6-Chloro-2-methoxyacridin-9-yl)-N1,N1-bis(2-chloroethyl)pentane-1,4-diamineNSC 3424UNII-8Y3YQP8GW6BRN 0056337Acrichine Yperite

データベース識別子

CAS
64046-79-3
PubChem CID
20194

物性

構造計算による物性

XLogP
6.5
極性表面積
37.4 Ų
水素結合供与体数
1
水素結合受容体数
4
回転可能結合数
11
重原子数
30
形式電荷
0
複雑度
494

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

危険有害性情報

Health HazardsACUTE/CHRONIC HAZARDS: Extremely toxic. Hazardous decomposition products. A mutagen and experimental carcinogen. (NTP, 1992)
Reactive GroupAmines, Phosphines, and Pyridines
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.

安全と保護具

Fire Fighting · 1 件

This compound is not very flammable but any fire involving this compound may produce dangerous vapors. You should evacuate the area. All firefighters should wear full-body protective clothing and use self-contained breathing apparatuses. You should extinguish any fires involving this chemical with a dry chemical, carbon dioxide, foam, or halon extinguisher. (NTP, 1992)

First Aid · 1 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, you should dampen the solid spill material with alcohol, then transfer the dampened material to a suitable container. Use absorbent paper dampened with alcohol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

化学と産業

薬理情報

MeSH Pharmacological Classification · 1 件

Chemicals that emit light after excitation by light. The wave length of the emitted light is usually longer than that of the incident light. Fluorochromes are substances that cause fluorescence in other substances, i.e., dyes used to mark or label other compounds with fluorescent tags.

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化合物ノート

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このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
DTXSID
DTXSID40982194
ChEMBL
CHEMBL1190232
ChEBI
CHEBI:37595
UNII
8Y3YQP8GW6
Nikkaji
J1.122C
Personal Protective Equipment (PPE) · 1 件

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with a combination filter cartridge, i.e. organic vapor/acid gas/HEPA (specific for organic vapors, HCl, acid gas, SO2 and a high efficiency particulate filter).