基本情報
- CAS
54166-24-4- 標準SMILES
CC1(N)CCC(C(C)(C)N)CC1- InChIKey
KOGSPLLRMRSADR-UHFFFAOYSA-N- 分子式
- C10H22N2
- 平均分子量
- 170.3 g/mol
- 単同位体質量
- 170.17829871
概要
Blackish liquid. (NTP, 1992)
名称と識別子
- 優先名称
- 4-(2-Aminopropan-2-yl)-1-methylcyclohexan-1-amine
- IUPAC
- 4-(2-aminopropan-2-yl)-1-methylcyclohexan-1-amine
- 英語名
- cis-1,8-Diamino-p-methane
- 分子式
- C10H22N2
- 分子量
- 170.3
名称と別名
4-(2-aminopropan-2-yl)-1-methylcyclohexan-1-amineKIER-C3RefChem:737331,8-Diamino-p-menthane80-52-4Menthanediamine4-(2-aminopropan-2-yl)-1-methylcyclohexanamineP-MENTHANE-1,8-DIAMINE1,8-Menthanediamine1,8-p-Menthanediamine54166-24-4Menthane diamine
名称をさらに表示
cis-1,8-Diamino-p-methanecis-1,8-diamino-P-menthanecis-1,8-Diamino-p-menthane 98%cis-1,8-Diamino-p-menthanecis-4-(2-Aminopropan-2-yl)-1-methylcyclohexanamineCyclohexanemethanamine, 4-amino-α,α,4-trimethyl-, cis-(1r,4r)-4-(2-aminopropan-2-yl)-1-methylcyclohexan-1-amine
USAF RH-4p-Menthane-1,8-diyldiamineCCRIS 4836NSC 5612EINECS 201-287-7UNII-S583DR301GBRN 1098767DTXSID3021772
データベース識別子
- CAS
54166-24-4、54166-25-5、80-52-4- PubChem CID
- 6650
物性
構造計算による物性
- XLogP
- 0.7
- 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
- 1
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 155
実験および物理化学的性質
Density0.914 at 68 °F (NTP, 1992) - Less dense than water; will float
SolubilitySlightly soluble (NTP, 1992)
Flash Point200 °F (NTP, 1992)
Boiling Point225 to 259 °F at 10 mmHg (NTP, 1992)
Melting Point-49 °F (NTP, 1992)
Physical Description
Blackish liquid. (NTP, 1992)
Liquid
物理化学的性質
- 沸点
- 233 °C · 233 °C (lit.)
- 比重(密度)
- 0.918 g/mL · 0.918 g/mL at 25 °C (lit.)
- 屈折率
- 20 · n20/D 1.48(lit.)
- 闪点
- 212 °F · 212 °F
- 酸解離定数(Pka)
- 11.017 · 11.017±0.70(predicted)
- InChI
- 1S/C10H22N2/c1-9(2,11)8-4-6-10(3,12)7-5-8/h8H,4-7,11-12H2,1-3H3/t8-,10+
- InChIKey
- KOGSPLLRMRSADR-WAAGHKOSSA-N
- SMILES
- CC(C)(N)[C@H]1CC[C@@](C)(N)CC1
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
H301 (42.1%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 95 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
危険有害性情報
Regulatory Information
Chemical: Cyclohexanemethanamine, 4-amino-.alpha.,.alpha.,4-trimethyl-
Cyclohexanemethanamine, 4-amino-.alpha.,.alpha.,4-trimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanemethanamine, 4-amino-.alpha.,.alpha.,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)
Cyclohexanemethanamine, 4-amino-.alpha.,.alpha.,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.
DOT LabelPoison
Fire HazardsThis chemical is combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include irritation of the eyes, skin and mucous membranes.
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile
1,8-P-MENTHANEDIAMINE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.
化学と産業
用途と製造
U.S. Production2023: 50,000 - <250,000 lb
Industry UsesIntermediate
General Manufacturing Information
Adhesive Manufacturing
Cyclohexanemethanamine, 4-amino-.alpha.,.alpha.,4-trimethyl-: ACTIVE
応用分野
一般的な説明cis-1,8-Diamino-p-menthane may be used in the synthesis of cis-(N,N′-p-menth-1,8-ylene)bis(2-bromo-3,3-dimethylbutanamide).
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Syntechem Co.,Ltd[email protected]
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