基本情報
- CAS
25513-64-8- 標準SMILES
CC(CCN)CC(C)(C)CN- InChIKey
JCUZDQXWVYNXHD-UHFFFAOYSA-N- 分子式
- C9H22N2
- 平均分子量
- 158.28 g/mol
- 単同位体質量
- 158.17829871
概要
See also: 2,2,4(Or 1,4,4)-trimethylhexane-1,6-diamine (annotation moved to).
名称と識別子
- 優先名称
- 2,2,4-Trimethyl-1,6-hexanediamine
- IUPAC
- 2,2,4-trimethylhexane-1,6-diamine
- 現地名
- 2,2,4-トリメチルヘキサン-1,6-ジアミン
- 英語名
- 2,2,4-trimethylhexane-1,6-diamine
- 分子式
- C9H22N2
- 分子量
- 158.28
名称と別名
2,2,4-Trimethylhexane-1,6-diamine2,2,4-Trimethyl-1,6-hexanediamine1,6-Hexanediamine, 2,2,4-trimethyl-UNII-PN9C5291DRPN9C5291DREINECS 221-792-6DTXSID10863128RefChem:808732,2,4Trimethylhexane1,6diamineDTXCID008117941,6Hexanediamine, 2,2,4trimethylTrimethyl1,6hexanediamine, 2,2,4
名称をさらに表示
2,2,4-トリメチル-1,6-ヘキサンジアミン2,2,4-トリメチルヘキサン-1,6-ジアミン2,2,4-トリメチルヘキサメチレンジアミン1,6-DIAMINO-2,2,4-TRIMETHYLHEXANE2,2,4-Trimethylhexamethylene diamine
3236-53-11,6-Hexanediamine, 2,2,4(or 2,4,4)-trimethyl-2,2,4-trimethyl-1,6-diaminohexane2,2,4-trimethylhexamethylenediamineEINECS 247-063-2starbld0017057UNII-00PFI6E4JTEC 247-063-2
データベース識別子
- CAS
25513-64-8、3236-53-1- PubChem CID
- 92950
- DTXSID
DTXSID10863128- UNII
物性
構造計算による物性
- XLogP
- 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
- 5
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 99.7
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Amines, Aliphatic
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description
Liquid
Clear liquid with an amine odor; [Epoxy Technology MSDS]
物理化学的性質
- 融点
- 227 °C · 227 °C
- 沸点
- 224.9 · 224.9±8.0 °C(Predicted)
- 比重(密度)
- 0.856 · 0.856±0.06 g/cm3(Predicted)
- 酸解離定数(Pka)
- 10.69 · 10.69±0.15(Predicted)
- EPAの化学物質情報
- 1 · 1,6-Hexanediamine, 2,2,4-trimethyl- (3236-53-1)
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, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 567 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
This chemical does not meet GHS hazard criteria for 0.2% (1 of 421) of reports.
Danger
危険有害性情報
Regulatory Information
Chemical: 1,6-Hexanediamine, 2,2,4-trimethyl-
Chemical: 1,6-Hexanediamine, 2,2,4(or 2,4,4)-trimethyl-
1,6-Hexanediamine, 2,2,4(or 2,4,4)-trimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,6-Hexanediamine, 2,2,4(or 2,4,4)-trimethyl- 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)
REACH registered substance: 2,2,4(or 2,4,4)-trimethylhexane-1,6-diamine (EC: 247-063-2)
1,6-Hexanediamine, 2,2,4-trimethyl-: 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.
Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract; May cause skin sensitization; A potential carcinogen; [Epoxy Technology MSDS] See N,N-Diethylethylenediamine and N,N-Dimethyl-1,3-propanediamine.
Hazard Classes and Categories
Acute Tox. 4 (99.8%)
Acute Tox. 4 (100%)
毒性情報
化学と産業
用途と製造
U.S. Production2023: <50,000 lb
Industry UsesIntermediate
General Manufacturing Information
Paint and Coating Manufacturing
1,6-Hexanediamine, 2,2,4-trimethyl-: ACTIVE
1,6-Hexanediamine, 2,2,4(or 2,4,4)-trimethyl-: ACTIVE
サプライヤー36 社
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Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
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江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
武汉绿景丰华生物科技有限公司19972070065 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东大小化工有限公司171603 18666171603 · [email protected]
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