基本情報
- CAS
13897-55-7- 標準SMILES
CC1CCC(N)CC1N- InChIKey
QTKDDPSHNLZGRO-UHFFFAOYSA-N- 分子式
- C7H16N2
- 平均分子量
- 128.22 g/mol
- 単同位体質量
- 128.13134851
名称と識別子
- 優先名称
- 1,3-Cyclohexanediamine, 4-methyl-
- IUPAC
- 4-methylcyclohexane-1,3-diamine
- 現地名
- 4-メチル-1,3-シクロヘキサンジアミン
- 英語名
- 4-methylcyclohexane-1,3-diamine
- 分子式
- C7H16N2
- 分子量
- 128.21534
名称と別名
13897-55-71,3-Cyclohexanediamine, 4-methyl-4-Methyl-1,3-cyclohexanediamine2,4-Diaminomethylcyclohexane2,4-Diamino-1-methylcyclohexaneEINECS 237-666-92,4-Cyclohexanediamine, 1-methyl-DTXSID40884725RefChem:72545DTXCID2010241521,3-Cyclohexanediamine, 4-methyl-(8CI,9CI)4-Methylcyclohexane-1,3-diamine
名称をさらに表示
4-メチル-1,3-シクロヘキサンジアミン1-メチル-2,4-シクロヘキサンジアミン4-メチルシクロヘキサン-1,3-ジアミンHTDAMethylcyclohexanediamine2,4(6)-diamino-1-methylcyclohexaneMethyl cyclohexadiamine4-methyl-3-cyclohexanediamine1-methyl-4-cyclohexanediamine1-Methyl-2,4-cyclohexanediamine
SCHEMBL185762SCHEMBL11846096SCHEMBL27519493SCHEMBL28278116QTKDDPSHNLZGRO-UHFFFAOYSA-NMFCD00036013AKOS006339871DS-016840
データベース識別子
- CAS
13897-55-7- PubChem CID
- 117174
- DTXSID
DTXSID40884725- EC Number
- 237-666-9
- Nikkaji
- J23.472I
物性
構造計算による物性
- XLogP
- 0.1
- 極性表面積
- 52 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 2
- 回転可能結合数
- 0
- 重原子数
- 9
- 形式電荷
- 0
- 複雑度
- 92.9
実験および物理化学的性質
Physical DescriptionLiquid
物理化学的性質
- 沸点
- 227.68 °C · 227.68°C (rough estimate)
- 比重(密度)
- 0.9394 · 0.9394 (rough estimate)
- 屈折率
- 1.474 · 1.4740 (estimate)
- 酸解離定数(Pka)
- 10.56 · 10.56±0.70(Predicted)
- InChI
- InChI=1S/C7H16N2/c1-5-2-3-6(8)4-7(5)9/h5-7H,2-4,8-9H2,1H3
- InChIKey
- QTKDDPSHNLZGRO-UHFFFAOYSA-N
- SMILES
- C1(N)CCC(C)C(N)C1
- EPAの化学物質情報
- 1 · 1,3-Cyclohexanediamine, 4-methyl- (13897-55-7)
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。
GHS分類
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 141 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: 1,3-Cyclohexanediamine, 4-methyl-
1,3-Cyclohexanediamine, 4-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Cyclohexanediamine, 4-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
1,3-Cyclohexanediamine, 4-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationAssessment (Certificate) - 1,3-Cyclohexanediamine, 4-methyl-: Health and Environment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
U.S. Production2023: 50,000 - <250,000 lb
Industry UsesHardener
General Manufacturing Information
Plastics Product Manufacturing
1,3-Cyclohexanediamine, 4-methyl-: ACTIVE
応用分野
使用4-Methylcyclohexane-1,3-diamine (HTDA) is an important organic compound primarily used in the production of high-end epoxy resin curing agents, which impart excellent mechanical properties, corrosion resistance and heat resistance to epoxy resins. It can also be used in the synthesis of polyamide resins. In the pharmaceutical and chemical industries, it serves as a key intermediate in the synthesis of various drugs, including antibacterial and antihistamine agents, and can also be used to construct bioactive molecules to support biomedical research. In the field of surfactants, it can be used to prepare cationic surfactants with emulsifying and bactericidal properties, as well as amphoteric surfactants that are biocompatible and low-irritant. It also has widespread applications in industries such as detergents and cosmetics.
サプライヤー95 社
江西益众化工有限公司15307925109 15350027073 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
山东泰诚生物科技有限公司18769832557 18769832557 · [email protected]
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…