1-Amino-11-azido-3,6,9-trioxaundecane

HCID 2735280

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 134179-38-7
표준 SMILES: [N-]=[N+]=NCCOCCOCCOCCN
InChIKey: FPVCVHVTMPCZTH-UHFFFAOYSA-N
분자식: C8H18N4O3
평균 분자량: 218.25 g/mol
단동위원소 질량: 218.13789044

이름 및 식별자

우선 이름: 1-Amino-11-azido-3,6,9-trioxaundecane
IUPAC: 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine
영어명: 11-Azido-3 6 9-trioxaundecan-1-amine
분자식: C8H18N4O3
분자량: 218.25

이름 및 동의어

134179-38-71-Amino-11-azido-3,6,9-trioxaundecaneDTXSID60370655RefChem:227480DTXCID80321689629-285-5Azido-PEG3-AmineAmino-PEG3-C2-Azido11-Azido-3,6,9-trioxaundecan-1-amine1-[2-(2-aminoethoxy)ethoxy]-2-(2-azidoethoxy)ethaneN3-PEG3-CH2CH2NH22-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine

이름 더 보기

N3-PEG3-NH2Amino-PEG3-azideAmino-PEG4-Azide93.0%(GC&H2N-PEG(3)-N3Azido-PEG3-NH2

MFCD0026987411-AZIDO-3 6 9-TRIOXAUNDECAN-1-AMINEEthanamine, 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-11-AZIDO-3,6,9-TRIOXAUNDECYLAMINEC8H18N4O32-(2-(2-(2-AZIDOETHOXY)ETHOXY)ETHOXY)ETHANAMINE2-{2-[2-(2-Azidoethoxy)ethoxy]ethoxy}ethanamine2-(2-(2-(2-azidoethoxy)ethoxy)ethoxy)ethan-1-amine

데이터베이스 식별자

CAS: 134179-38-7
PubChem CID: 2735280
DTXSID: DTXSID60370655
UNII: RN75JU5PFC
EC Number: 629-285-5
Nikkaji: J401.961J

물성

구조 계산 물성

XLogP: -0.3
극성 표면적: 68.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 11
무거운 원자 수: 15
형식 전하: 0
복잡도: 173

물리화학적 성질

끓는 점: 198 · 198-202°C
밀도: 1.1 g/mL · 1.10 g/mL at 20 °C(lit.)
굴절률: 20 · n20/D 1.470
저장 조건: Amber Vial, Refrigerator, Under Inert Atmosphere
용해도: miscible with water, polar organic solvents
물리적 상태: 점성 액체
산도 계수 (pKa): 8.74 · 8.740±0.10(predicted)
색상: 노란색에서 옅은 갈색까지
BRN: 4745506 · 4745506
안정성: 감광성
InChI: InChI=1S/C8H18N4O3/c9-1-3-13-5-7-15-8-6-14-4-2-11-12-10/h1-9H2
InChIKey: FPVCVHVTMPCZTH-UHFFFAOYSA-N
SMILES: C(OCCOCCN)COCCN=[N+]=[N-]

화학적 성질

Very Pale Yellow Oil

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (97.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (97.7%)

안전 데이터

wgk: 3
ridadr: UN 2735 8/PG 3
HS 번호: 29299090
risk_code: 34
hazard_code: C,Xi
safety_code: 26-36/37/39-45
포장분류: III
위험 등급: 8
F 고인화성물질: 10-34
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 1건

용도A PEG derivative, which contains a free amine that can be conjugated to biological molecules directly by an amide linkage (or via the corresponding isothiocyanate) and an azide that can be reduced to an amine for conjugation to other molecules. PEG derivatives are water soluble. Bifunctional water soluble compounds with flexible dimensions allow for conjugation of small molecules to proteins or molecular probes. 1-amino-11-azido-3,6,9-trioxaundecane can be reacted with small organic molecules for the synthesis of heterobifunctional compounds. It has been used to synthesize a mannose-fluorescein conjugate for the study of cell-surface mannose-specific lectins.