1-(아미노옥시)-2-프로펜

O-Allylhydroxylamine

HCID 420841CAS 6542-54-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C=CCON
InChIKey: KPTCZURLWZSRKB-UHFFFAOYSA-N
분자식: C3H7NO
평균 분자량: 73.09 g/mol
단동위원소 질량: 73.05276384

이름 및 식별자

우선 이름: O-Allylhydroxylamine
IUPAC: O-prop-2-enylhydroxylamine
현지명: 1-(아미노옥시)-2-프로펜
영어명: 1-(Aminooxy)-2-propene
분자식: C3H7NO
분자량: 73.09

이름 및 동의어

o-Allylhydroxylamine6542-54-7DM5S33R4TQDTXSID20329528RefChem:1093611DTXCID30202994O-prop-2-enylhydroxylamineO-(PROP-2-EN-1-YL)HYDROXYLAMINEHydroxylamine, O-2-propenyl-O-allyl hydroxylamineallyloxyamineallyloxylamine

이름 더 보기

1-(아미노옥시)-2-프로펜1-(Aminooxy)-2-propeneHydroxylamine, O-2-propenyl- (9CI)

N-allyloxyamineO-allyl-hydroxylamineHydroxylamine, O-allyl-SCHEMBL9361SCHEMBL170398SCHEMBL438649O-prop-2-en-1-ylhydroxylamineSCHEMBL8642679

데이터베이스 식별자

CAS: 6542-54-7
PubChem CID: 420841
DTXSID: DTXSID20329528
ChEMBL: CHEMBL1213179
UNII: DM5S33R4TQ
EC Number: 630-437-8
Nikkaji: J26.181E

물성

구조 계산 물성

XLogP: 0
극성 표면적: 35.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 5
형식 전하: 0
복잡도: 28.1

물리화학적 성질

끓는 점: 98 · 98-99 °C
밀도: 0.9074 g/cm3 · 0.9074 g/cm3(Temp: 25 °C)
산도 계수 (pKa): 5.48 · 5.48±0.70(Predicted)

화학적 성질

1-(Aminooxy)-2-propene is typically prepared as the hydrochloride salt which is a white solid that may be recrystallized from EtOH and ether.bp 80 °C, IR 3350 cm-1.

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.