2-(2-아미노에틸)-1,3-디옥솔란

1,3-Dioxolane-2-ethylamine

HCID 79827

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 5754-35-8
표준 SMILES: NCCC1OCCO1
InChIKey: JNAQYWWCTUEVKR-UHFFFAOYSA-N
분자식: C5H11NO2
평균 분자량: 117.15 g/mol
단동위원소 질량: 117.07897859

이름 및 식별자

우선 이름: 1,3-Dioxolane-2-ethylamine
IUPAC: 2-(1,3-dioxolan-2-yl)ethanamine
현지명: 2-(2-아미노에틸)-1,3-디옥솔란
영어명: 2-(2-AMINOETHYL)-1,3-DIOXOLANE
분자식: C5H11NO2
분자량: 117.15

이름 및 동의어

5754-35-81,3-dioxolane-2-ethanamine1,3-Dioxolane-2-ethylamineEINECS 227-277-2DTXSID70206158RefChem:414905DTXCID70128649227-277-22-(2-Aminoethyl)-1,3-dioxolane2-(1,3-dioxolan-2-yl)ethanamine2-(1,3-dioxolan-2-yl)ethan-1-amineMFCD00142756

이름 더 보기

2-(2-아미노에틸)-1,3-디옥솔란2-(2-aminoethyl)-1,3-dioxypentane2-(2-Aminoethyl)-1,3-dioxolane >2-(2-AMINOETHYL)-13-DIOXOLANE, 97+%

SCHEMBL98162-[1,3]dioxolan-2-yl-ethylamineAKOS006229366BS-22731CS-0205328Aminoethyldioxolane3-Aminopropionaldehyde Cyclic Ethylene AcetalSCHEMBL4170931

데이터베이스 식별자

CAS: 5754-35-8
PubChem CID: 79827
DTXSID: DTXSID70206158
EC Number: 227-277-2
Nikkaji: J38.311B

물성

구조 계산 물성

XLogP: -0.7
극성 표면적: 44.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 8
형식 전하: 0
복잡도: 61

물리화학적 성질

끓는 점: 75 °C · 75 °C / 18mmHg
밀도: 1 · 1,07 g/cm3
굴절률: 1.451 · 1.4510-1.4540
저장 조건: 2 · Keep in dark place,Sealed in dry,2-8°C
용해도: 디클로로메탄 또는 메탄올에 용해됨
물리적 상태: 기름
산도 계수 (pKa): 10.33 · 10.33±0.10(Predicted)
색상: 노란색
InChI: InChI=1S/C5H11NO2/c6-2-1-5-7-3-4-8-5/h5H,1-4,6H2
InChIKey: JNAQYWWCTUEVKR-UHFFFAOYSA-N
SMILES: O1CCOC1CCN

화학적 성질

Yellow Oil

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H226 (66.7%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (66.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (66.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 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 CategoriesFlam. Liq. 3 (66.7%)；Acute Tox. 4 (66.7%)；Skin Corr. 1B (66.7%)；Skin Irrit. 2 (33.3%)；Eye Dam. 1 (66.7%)；STOT SE 3 (66.7%)