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ビス(ヘキサメチレン)トリアミン

N-(6-Aminohexyl)-1,6-hexanediamine

HCID 8924
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
部分構造検索類似構造を探す

基本情報

CAS
143-23-7
標準SMILES
NCCCCCCNCCCCCCN
InChIKey
MRNZSTMRDWRNNR-UHFFFAOYSA-N
分子式
C12H29N3
平均分子量
215.38 g/mol
単同位体質量
215.23614793

概要

Bis-hexamethylene triamine appears as a colorless crystalline or flaked solid. Corrosive. Irritating to skin and eyes. May be toxic by ingestion. Used to make plastics.

名称と識別子

優先名称
N-(6-Aminohexyl)-1,6-hexanediamine
IUPAC
N'-(6-aminohexyl)hexane-1,6-diamine
現地名
ビス(ヘキサメチレン)トリアミン
英語名
BIS(HEXAMETHYLENE)TRIAMINE
分子式
C12H29N3
分子量
215.38

名称と別名

Bis(hexamethylene)triamine143-23-7Bis(6-aminohexyl)amineDihexylenetriamine1,13-Diamino-7-azatridecane1,6-Hexanediamine, N-(6-aminohexyl)-7-Azatridecane-1,13-diamine6,6'-DiaminodihexylamineN-(6-AMINOHEXYL)-1,6-HEXANEDIAMINEN-(Aminohexyl)-1,6-hexanediamineDihexylamine, 6,6'-diamino-HSDB 5646
名称をさらに表示
ビス(ヘキサメチレン)トリアミンビスヘキサメチレントリアミンビス(6-アミノヘキシル)アミン6,6'-イミノビス(ヘキサン-1-アミン)6,6'-イミノビス(1-ヘキサンアミン)N-(6-アミノヘキシル)-1,6-ヘキサンジアミン6,6'-イミノジ(1-ヘキサンアミン)ビス-ヘキサメチレントリアミン6,6'-イミノジヘキシルアミン6,6′-イミノビス(1-ヘキサンアミン)6,6′-イミノビス(ヘキサン-1-アミン)イミノビス(ヘキサメチレン)ビスアミン6,6′-イミノジ(1-ヘキサンアミン)TIMTEC-BB SBB006597Sclareol Impurity 4BIS(HEXAMETHYLENE)TR6,6'-IMINODIHEXYLAMINE7-Azatridecan-1,-diamin1,8,15-triazapentadecane6,6’-diamino-dihexylamin

物性

構造計算による物性

XLogP
0.8
極性表面積
64.1 Ų
水素結合供与体数
3
水素結合受容体数
3
回転可能結合数
12
重原子数
15
形式電荷
0
複雑度
95

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 · 3 件

Bis-hexamethylene triamine appears as a colorless crystalline or flaked solid. Corrosive. Irritating to skin and eyes. May be toxic by ingestion. Used to make plastics.

Liquid

mp = 33 deg C; [ChemIDplus] Colorless solid; [CAMEO] Colorless to yellow melt; mp = 33-36 deg C; [MSDSonline]

物理化学的性質

融点
33 · 33-36 °C(lit.)
沸点
163 · 163-165 °C4 mm Hg(lit.)
比重(密度)
0.85 g/mL · 0.85 g/mL at 20 °C(lit.)
蒸気圧
0.01 mm · <0.01 mm Hg ( 25 °C)
屈折率
20 · n20/D 1.49(lit.)
闪点
230 °F · >230 °F
貯蔵温度
2 · 2-8°C
溶解性
soluble in Methanol
外見
powder to lump to clear liquid
酸解離定数(Pka)
10.94 · 10.94±0.10(Predicted)

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 · 4 件

Danger

H302+H312 (31.1%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]

P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P361+P364, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 344 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 4 件

Chemical: 1,6-Hexanediamine, N-(6-aminohexyl)-

1,6-Hexanediamine, N1-(6-aminohexyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,6-Hexanediamine, N1-(6-aminohexyl)- 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)

Status: Active Update: 19-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/25545

1,6-Hexanediamine, N-(6-aminohexyl)-: 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 LabelCorrosive
Fire HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Health HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Hazards SummaryCorneal opacity and loss of vision noted in rabbits at 120 hours following 1 minute instillation; Corrosive to rabbit skin; Hemorrhagic lungs and liver observed in oral (rat) and dermal (rabbit) lethal-dose studies; [HSDB]

化学と産業

用途と製造

Uses · 2 件

Used to make polyamide resins; [HSDB]

Used as a chemical intermediate in the synthesis of polyamide resins, reactive

U.S. Production2023: 3,086 lb
Industry UsesProcessing aids not otherwise specified
Methods of ManufacturingProduction: adiponitrile (nitrile reduction; byproduct of hexamethylenediamine production)
General Manufacturing Information · 2 件

All Other Chemical Product and Preparation Manufacturing

1,6-Hexanediamine, N1-(6-aminohexyl)-: ACTIVE

応用分野

一般的な説明A colorless crystalline or flaked solid. Corrosive. Irritating to skin and eyes. May be toxic by ingestion. Used to make plastics.

上流・下流製品情報

下流製品

ヘキサメチレンイミン

サプライヤー89 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]

関連反応

4 件
反応記録を作成
HRID 474135 の反応式
HRID 474135反応物としてuspto-grants-2014_01
HRID 546550 の反応式
HRID 546550反応物としてuspto-grants-2011_05
HRID 845127 の反応式
HRID 845127生成物としてuspto-grants-1988_07
HRID 1484212 の反応式
HRID 1484212反応物としてuspto-grants-2016_08

化合物ノート

読み込み中…

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
EINECS 205-593-1BID902UF5VNSC 92231bis-hexamethylene triamineNSC-922311,6-Hexanediamine, N1-(6-aminohexyl)-Bis(6aminohexyl)amine6,6'Diaminodihexylamine

データベース識別子

CAS
143-23-7
PubChem CID
8924
DTXSID
DTXSID4027109
ChEMBL
CHEMBL318516
UNII
BID902UF5V
EC Number
205-593-1
Nikkaji
J60.706A
色
White or Colorless to Yellow
水溶解度
437 g/L · 437g/L at 20℃
BRN
2323517 · 2323517
安定性
安定。湿気から保護してください - 不活性ガス下で保管してください。強力な酸化剤、一酸化炭素、二酸化炭素とは相容れない。
InChI
1S/C12H29N3/c13-9-5-1-3-7-11-15-12-8-4-2-6-10-14/h15H,1-14H2
InChIKey
MRNZSTMRDWRNNR-UHFFFAOYSA-N
SMILES
NCCCCCCNCCCCCCN
LogP
1.3 at · 1.3 at 24℃
CAS データベース
143 · 143-23-7(CAS DataBase Reference)
EPAの化学物質情報
Bis(hexamethylene)triamine (143-23-7)

化学的性質

化学的特性light beige solid

Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile · 1 件

BIS-HEXAMETHYLENE TRIAMINE 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. May generate hydrogen, a flammable gas, in combination with strong reducing agents such as hydrides.

Air and Water ReactionsVery soluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全と保護具

Fire FightingExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
First AidExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Nonfire Spill ResponseExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Disposal Methods · 1 件

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.

Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

毒性情報

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
TSCA Test Submissions · 4 件

bis-Hexamethylenetriamine (CAS # 143-23-7) was evaluated for acute oral toxicity in groups of 5 Sprague-Dawley albino rats (2 or 3/sex/group) administered single undiluted doses of 316, 398, 501, and 631 mg/kg by oral gavage. Mortality occurred within 1 to 2 hours in the three highest dose groups, and an LD50 was 450 (415-485) mg/kg, as calculated by a method of E. J. de Beer. Clinical toxicity was characterized by reduced appetite, hypoactivity, rapid loss of vigor, collapse, and death. Upon necropsy of the study lethalities, hemorrhagic lungs and liver, and profound gastrointestinal inflammation were identified. The survivors of 7-day post-gavage observation exhibited no gross pathology attributable to treatment.

bis-Hexamethylenetriamine (CAS # 143-23-7) was evaluated for acute dermal toxicity in alternate solitary male or female New Zealand white rabbits administered single occluded applications of 31.6, 50.1, 79.4, 126.0, 200.0, 316.0, 1000.0, and 2000.0 mg/kg neat upon clipped, intact skin for 24 hours. An LD50 range was identified between 126.00 and 200.0 mg/kg, with each rabbit of a 200.0 mg/kg dose or higher succumbing from several hours to one day post-treatment. Reduced appetite, hypoactivity, increasing loss of vigor, collapse, and death characterized the clinical evidence of systemic toxicity. Upon necropsy, macroscopic evidence of systemic toxicity associated with treatment was identified among the decedent rabbits, including hemorrhagic lungs and liver. The study survivors of 14-day post-treatment observation exhibited no gross lesions.

bis-Hexamethylenetriamine (CAS # 143-23-7) was evaluated for eye irritation in 2 groups of 3 (2 male, 1 female) albino rabbits (strain unspecified) administered single 0.1 mL undiluted instillations into right eye conjunctival sacs for 1 minute and 24 hours, respectively. Treatment was terminated upon saline wash of the treated eyes. Determinations of irritation at 10 minutes, 1 hour, and at 3, 5, 7 and 14 days post-treatment were made based on a method of Draize, Woodard, and Calvery, the left (untreated) eyes serving as control. All instillations induced severe discomfort, with pawing, squealing, and thrashing about in the cages. One hour after rinse of the 1-minute instillation, the initial severe erythema, slight edema and copious discharge had worsened to severe erythema, moderate edema, copious discharge, and corneal dullness. Rabbits of the 24-hour treatments exhibited a similar response to unrinsed instillations by 10 minutes. Increasing corneal cloudiness in the animals of 1-minute instillations eventuated in corneal opacity and destroyed vision at 120 hours, a fate that was realized in rabbits of 24-hour treatments at 1 hour post-instillation.

Bis(hexamethylene)triamine (CAS # 143-23-7) was evaluated for primary dermal irritation in 3 male and female New Zealand white rabbits administered 0.5 mL undiluted applications upon clipped, intact skin under semi-occluded patch for 4 hours. Dermal discoloration from the sample continued to prevent appreciation of erythema at 1-hour post-dosing, although edema was noted and worsened to eschar by the 4-hour evaluation. Slight loosening of scab edges at the reaction site was reported 14 days after treatment. Based on a method of Draize, Woodard, and Calvery, the study authors classified the compound as corrosive.

安全データ

F
3-10-34
wgk
1
tsca
TSCA listed
rtecs
MO1186250
ridadr
UN 3259 8/PG 2
hs_code
2921.29.0055
risk_code
22-34
化審法
(2)-2376
hazard_code
C
safety_code
26-36/37/39-45
hazard_class
6.1(a)
packing_group
II
Hazard Classifications
Acute Tox. 4 DermalAcute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Corr. 1ASTOT SE 3
ストレージクラス
8A - Combustible corrosive hazardous materials
有毒物質データの
143-23-7(Hazardous Substances Data)
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