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

HCID 8924
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
143-23-7
표준 SMILES
NCCCCCCNCCCCCCN
InChIKey
MRNZSTMRDWRNNR-UHFFFAOYSA-N
분자식
C12H29N3
평균 분자량
215.38 g/mol
단동위원소 질량
215.23614793

개요

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.

이름 및 식별자

우선 이름
N-(6-Aminohexyl)-1,6-hexanediamine
IUPAC
N'-(6-aminohexyl)hexane-1,6-diamine
영어명
BIS(HEXAMETHYLENE)TRIAMINE
분자식
C12H29N3
분자량
215.38

이름 및 동의어

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
이름 더 보기
TIMTEC-BB SBB006597Sclareol Impurity 4BIS(HEXAMETHYLENE)TR6,6'-IMINODIHEXYLAMINE7-Azatridecan-1,-diamin1,8,15-triazapentadecane6,6’-diamino-dihexylamin
EINECS 205-593-1BID902UF5VNSC 92231bis-hexamethylene triamineNSC-922311,6-Hexanediamine, N1-(6-aminohexyl)-Bis(6aminohexyl)amine6,6'Diaminodihexylamine

데이터베이스 식별자

CAS
143-23-7
PubChem CID
8924
DTXSID
DTXSID4027109

물성

구조 계산 물성

XLogP
0.8
극성 표면적
64.1 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
3
회전 가능 결합 수
12
무거운 원자 수
15
형식 전하
0
복잡도
95

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Amines, Aliphatic
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description · 3건

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]

물리화학적 성질

녹는점
33 · 33-36 °C(lit.)
끓는 점
163 · 163-165 °C4 mm Hg(lit.)
밀도
0.85 g/mL · 0.85 g/mL at 20 °C(lit.)
증기압
0.01 mm · <0.01 mm Hg ( 25 °C)
굴절률
20 · n20/D 1.49(lit.)
인화점
230 °F · >230 °F
저장 조건
2 · 2-8°C
용해도
메탄올에 용해됨
물리적 상태
powder to lump to clear liquid
산도 계수 (pKa)
10.94 · 10.94±0.10(Predicted)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information · 4건

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]

화학 및 산업

용도 및 제조

Uses · 2건

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 · 2건

All Other Chemical Product and Preparation Manufacturing

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

응용 분야

일반 설명A colorless crystalline or flaked solid. Corrosive. Irritating to skin and eyes. May be toxic by ingestion. Used to make plastics.

상·하류 제품 정보

하류 제품

헥사메틸렌이민

공급사89 곳

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]

관련 반응

4건
반응 기록 만들기
HRID 474135 반응식
HRID 474135반응물로uspto-grants-2014_01
HRID 546550 반응식
HRID 546550반응물로uspto-grants-2011_05
HRID 845127 반응식
HRID 845127생성물로uspto-grants-1988_07
HRID 1484212 반응식
HRID 1484212반응물로uspto-grants-2016_08

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
ChEMBL
CHEMBL318516
UNII
BID902UF5V
EC Number
205-593-1
Nikkaji
J60.706A
색상
White or Colorless to Yellow
수용성
437 g/L · 437g/L at 20℃
BRN
2323517 · 2323517
안정성
안정적인. 습기로부터 보호하십시오 - 불활성 가스하에 보관하십시오. 강한 산화제, 일산화탄소, 이산화탄소와 호환되지 않습니다.
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℃
EPA
Bis(hexamethylene)triamine (143-23-7)

화학적 성질

light beige solid

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

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%)

안전 및 보호

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 · 1건

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)]:

독성 정보

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 · 4건

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.

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
MO1186250
ridadr
UN 3259 8/PG 2
HS 번호
2921.29.0055
risk_code
22-34
hazard_code
C
safety_code
26-36/37/39-45
포장분류
II
위험 등급
6.1(a)
기존화학 물질
KE-01386
F 고인화성물질
3-10-34
Hazard Classifications
Acute Tox. 4 DermalAcute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Corr. 1ASTOT SE 3
스토리지 클래스
8A - Combustible corrosive hazardous materials
유해 물질 데이터
143-23-7(Hazardous Substances Data)
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