디옥타데킬아민
Dioctadecylamine
기본 정보
- CAS
112-99-2- 표준 SMILES
CCCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCC- InChIKey
HKUFIYBZNQSHQS-UHFFFAOYSA-N- 분자식
- C36H75N
- 평균 분자량
- 522 g/mol
- 단동위원소 질량
- 521.5899514
이름 및 식별자
- 우선 이름
- Dioctadecylamine
- IUPAC
- N-octadecyloctadecan-1-amine
- 현지명
- 디옥타데킬아민
- 영어명
- Dioctadecylamine
- 분자식
- C36H75N
- 분자량
- 521.99
이름 및 동의어
Dioctadecylamine112-99-2Distearylamine1-Octadecanamine, N-octadecyl-569INV7SP8GENAMIN SH 200ARMEEN 2-18DTXSID8059425RefChem:589652DTXCID4033267204-020-2n-octadecyloctadecan-1-amine
이름 더 보기
다이옥타데실아민디옥타데킬아민디옥타데실아민DODAFENTAMINE SA18AURORA KA-7662Dioctadecylamine(DODA)bisdecaoctalkaneylaminen-octadecyl-1-octadecanaminN-octadecyl-1-Octadecanamine
MFCD00048494DODA, DistearylamineEINECS 204-020-2UNII-569INV7SP8distearyl amineDioctadecyl aminebis-octadecylaminebis(octadecyl)amine
데이터베이스 식별자
- CAS
112-99-2- PubChem CID
- 66989
- DTXSID
DTXSID8059425- UNII
- 569INV7SP8
- EC Number
- 204-020-2
- Nikkaji
- J193.608E
물성
구조 계산 물성
- XLogP
- 17.5
- 극성 표면적
- 12 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 34
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 332
물리화학적 성질
- 녹는점
- 71 · 71-73 °C
- 끓는 점
- 524.75 °C · 524.75°C (estimate)
- 밀도
- 0.9086 · 0.9086 (estimate)
- 굴절률
- 1.4841 · 1.4841 (estimate)
- 용해도
- 물: 용해될 수 있음(lit.)
- 산도 계수 (pKa)
- 10.84 · 10.84±0.19(Predicted)
- 수용성
- water: soluble(lit.)
- BRN
- 1801688 · 1801688
- InChI
- 1S/C36H75N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3
- InChIKey
- HKUFIYBZNQSHQS-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCC
- EPA
- 1 · 1-Octadecanamine, N-octadecyl- (112-99-2)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (98.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 60 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315: Causes skin irritation [Warning Skin corrosion/irritation]
유해성 정보
Regulatory Information
Chemical: 1-Octadecanamine, N-octadecyl-
1-Octadecanamine, N-octadecyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Fatty amines, di(long chain)alkyl: Human health tier II assessment
Hazard Classes and Categories
Skin Irrit. 2 (98.3%)
Skin irritation - category 2
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 기존화학 물질
- KE-26573
- F 고인화성물질
- 10-34
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
General Manufacturing Information1-Octadecanamine, N-octadecyl-: ACTIVE
응용 분야
용도Dioctadecylamine (DODA) is suitable reagent used in the synthesis of the following:Dioctadecylamine-BCN (bicyclo[6.1.0]nonyne) conjugate.Lipid derivatives of bisethylnorspermine (BSP).Functional VP (N-vinylpyrrolidone ) polymers.It may be used in the following studies:As a reactant in the synthesis of 4,4′-azobis(4-cyano-N,N-dioctadecyl)pentanamide (DODA-501) by reacting with disuccinimidyl 4,4′-azobis(4-cyanovalerate).As a reagent in the synthesis of dioctadecyl heptapeptides.As a phase transfer and stabilizer agent for gold nanoparticles (AuNPs) in non-polar solvent.
일반 설명Dioctadecylamine (DODA), a secondary amine, is a fatty amine derivative. Its biodegradation potential has been assessed. It has been observed that in aqueous medium DODA self organizes into plate like structures. Its partial charge distribution as a function of its conformation has been analyzed. The phase diagram of dioctadecylamine Langmuir monolayers has been determined and investigations show it does not form a monolayer above pH 3.9. DODA has been utilized in forming liposomes, cationic lipids or lipid chelating agents.
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