基本情報
- CAS
1516-27-4- 標準SMILES
C=CC[N+](C)(C)C.[Cl-]- InChIKey
TZYULTYGSBAILI-UHFFFAOYSA-M- 分子式
- C6H14ClN
- 平均分子量
- 135.63 g/mol
- 単同位体質量
- 135.08147713
名称と識別子
- 優先名称
- Allyltrimethylammonium chloride
- IUPAC
- trimethyl(prop-2-enyl)azanium chloride
- 現地名
- N,N,N-トリメチル-2-プロペン-1-アミニウム·クロリド
- 英語名
- allyltrimethylammonium chloride
- 分子式
- C6H14ClN
- 分子量
- 135.63506
名称と別名
ALLYLTRIMETHYLAMMONIUM CHLORIDEHomoneurine chloride2-Propen-1-aminium, N,N,N-trimethyl-, chloride2-Propen-1-aminium, N,N,N-trimethyl-, chloride (1:1)Ammonium, allyltrimethyl-, chlorideTNV3AA7VHHUNII-TNV3AA7VHHHSDB 5834EINECS 216-164-3NSC 51212NSC-51212trimethylallylammonium chloride
名称をさらに表示
アリルトリメチルアミニウム·クロリドN,N,N-トリメチル-2-プロペン-1-アミニウム·クロリドアリルトリメチルアンモニウムクロリドTAACTriMethyl Allyl aMMoniuM chloride2-MethylthioureaenepropyltrimethylchloroAllyltrimethylaminium·chloriderimethyl(prop-2-enyl)azanium,chloridetrimethyl(prop-2-enyl)azanium,chloridetrimethyl(prop-2-enyl)ammonium chlorideN,N,N-Trimethyl-2-propen-1-aminium chloride
DTXSID00883577HOMONEURINE CHLORIDE [HSDB]RefChem:110922Ammonium, allyltrimethyl, chlorideDTXCID1010230942Propen1aminium, N,N,Ntrimethyl, chloride216-164-31516-27-4
データベース識別子
- CAS
1516-27-4- PubChem CID
- 15198
- DTXSID
DTXSID00883577- UNII
- TNV3AA7VHH
- EC Number
- 216-164-3
物性
構造計算による物性
- 極性表面積
- 0 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 2
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 59.1
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Quaternary Amines
DecompositionWhen heated to decomposition it emits toxic fumes of /nitrogen oxides/ and /hydrogen chloride/
物理化学的性質
- 融点
- 185 · 185-186 °C(Solv: acetone (67-64-1))
- 貯蔵温度
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- InChI
- InChI=1S/C6H14N.ClH/c1-5-6-7(2,3)4;/h5H,1,6H2,2-4H3;1H/q+1;/p-1
- InChIKey
- TZYULTYGSBAILI-UHFFFAOYSA-M
- SMILES
- C(C=C)[N+](C)(C)C.[Cl-]
- EPAの化学物質情報
- Allyltrimethylammonium chloride (1516-27-4)
安全と法規制
GHS分類
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
危険有害性情報
Hazards SummarySubcutaneous LDLo (mouse) = 180 mg/kg; [RTECS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
安全と保護具
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
毒性情報
Human Toxicity ExcerptsPoison by subcutaneous route.
Non-Human Toxicity ExcerptsALLYLTRIMETHYLAMMONIUM CHLORIDE APPLIED TO SOILS AT 0.5 G/POT CONSIDERABLY DECREASED GROWTH RATE OF BEANS.
安全データ
- tsca
- TSCA listed
- 有毒物質データの
- 1516-27-4(Hazardous Substances Data)
化学と産業
用途と製造
UsesUsed in hair conditioners, rinses, and shampoos; [HSDB]
U.S. Production
(1977) AT LEAST 4.54X10+7 GRAMS
(1980) PROBABLY GREATER THAN 2.27X10+6 GRAMS
Methods of ManufacturingPROBABLY BY REACTION OF TRIMETHYLAMINE WITH 3-CHLORO-1-PROPENE
General Manufacturing Information
2-Propen-1-aminium, N,N,N-trimethyl-, chloride (1:1): INACTIVE
USED IN HAIR TREATING COSMETICS, SUCH AS HAIR CONDITIONERS, RINSES, & SHAMPOOS.
応用分野
使用Allyltrimethylammonium chloride can produce zwitterionic water treatment scale inhibitor and dispersant, drilling fluid viscosity reducer and water treatment flocculant, etc. This product can be a clay stabilizer for oil production and water injection. It has better results when used in conjunction with ammonium chloride. It can also be used in drilling fluids, but the amount added cannot exceed 0.3%.
上流・下流製品情報
上流原料
サプライヤー100 社
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