Dioctadecylamine (HCID 66989)

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 Å²
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

GHS 분류

GHS Classification · 6건

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 · 2건

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 · 2건

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 · 2건

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.