1-아미노-3,3-디에톡시프로판

1-Amino-3,3-diethoxypropane

HCID 521029CAS 41365-75-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(CCN)OCC
InChIKey: PXXMSHBZYAOHBD-UHFFFAOYSA-N
분자식: C7H17NO2
평균 분자량: 147.22 g/mol
단동위원소 질량: 147.12592879

이름 및 식별자

우선 이름: 1-Amino-3,3-diethoxypropane
IUPAC: 3,3-diethoxypropan-1-amine
현지명: 1-아미노-3,3-디에톡시프로판
영어명: 1-Amino-3,3-diethoxypropane
분자식: C7H17NO2
분자량: 147.22

이름 및 동의어

1-Amino-3,3-diethoxypropane41365-75-7DTXSID60334535RefChem:429213DTXCID70285625627-108-63,3-diethoxypropan-1-amine3,3-Diethoxypropylamine3-Aminopropionaldehyde diethylacetalMFCD001425811-Amino-3,3-diethoxypropane (APEA)SCHEMBL366440

이름 더 보기

1-아미노-3,3-디에톡시프로판APEA1-Amino-3,3-diethoxypropane,97%TIMTEC-BB SBB005781RARECHEM AL BW 01233,3-Diethoxypropylazanium3,3-DIETHOXY-1-PROPYLAMINE3,3-Diethoxy-1-propanamine

SB75432Propionaldehyde, 3-amino-, diethyl acetalCS-0098622EN300-614791-Amino-3,3-diethoxypropane, >=97%, liquid3-Aminopropionaldehyde Diethyl Acetal1-Propanamine, 3,3-diethoxy-3,3-diethoxy-1-propaneamine

데이터베이스 식별자

CAS: 41365-75-7
PubChem CID: 521029
DTXSID: DTXSID60334535
ChEBI: CHEBI:228279
EC Number: 627-108-6
Nikkaji: J254.881J

물성

구조 계산 물성

XLogP: 0.2
극성 표면적: 44.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 6
무거운 원자 수: 10
형식 전하: 0
복잡도: 62

물리화학적 성질

끓는 점: 72 °C · 72 °C (12.0016 mmHg)
밀도: 0.91 g/mL · 0.91 g/mL at 25 °C(lit.)
굴절률: 1.4233 · 1.4233-1.4253
인화점: 78 °C · 78 °C
저장 조건: room temp
용해도: Soluble in water, alcohol, and petroleum ether.
산도 계수 (pKa): 8.92 · 8.92±0.13(Predicted)
물리적 상태: 액체
색상: 무색~황색으로 투명함
생물학적 소스: synthetic (organic)
수용성: water: miscible
InChI: InChI=1S/C7H17NO2/c1-3-9-7(5-6-8)10-4-2/h7H,3-6,8H2,1-2H3
InChIKey: PXXMSHBZYAOHBD-UHFFFAOYSA-N
SMILES: C(N)CC(OCC)OCC

화학적 성질

CLEAR COLOURLESS TO YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (12.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (12.8%)；Skin Corr. 1B (100%)

안전 데이터

wgk: 3
ridadr: UN 3267 8/PG 2
HS 번호: 29221985
risk_code: 34
hazard_code: C
safety_code: 26-27-36/37/39-45
포장분류: I
위험 등급: 8
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 2건

용도1-Amino-3,3-diethoxypropane has been used:with alginate in the preparation of hydrogelin the generation of polyethylene glycol (PEG) polyethylenimine (PEI) polyplexes conjugate for transfection studies in hepatocellular carcinoma cell culturesas a component of pH-sensitive PEG derivative for lipopolyplexes formation

일반 설명1-Amino-3,3-diethoxypropane is an effective modulator of alginate and chitosan based hydrogels and effectively used for the delivery of bone marrow stromal cells (BMSCs) for regeneration of cartilage.