디에틸(3-아미노프로필)포스포네이트

Diethyl (3-aminopropyl)phosphonate

HCID 78113CAS 4402-24-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOP(=O)(CCCN)OCC
InChIKey: DQORFBNFNLHVIM-UHFFFAOYSA-N
분자식: C7H18NO3P
평균 분자량: 195.2 g/mol
단동위원소 질량: 195.10243043

이름 및 식별자

우선 이름: Diethyl (3-aminopropyl)phosphonate
IUPAC: 3-diethoxyphosphorylpropan-1-amine
현지명: 디에틸(3-아미노프로필)포스포네이트
영어명: diethyl (3-aminopropyl)phosphonate
분자식: C7H18NO3P
분자량: 195.2

이름 및 동의어

Diethyl (3-aminopropyl)phosphonate4402-24-8EINECS 224-535-6DTXSID80196016RefChem:133369DTXCID90118507224-535-63-diethoxyphosphorylpropan-1-amineMFCD11110596diethyl 3-aminopropylphosphonate(3-Aminopropyl)phosphonic acid diethyl esterstarbld0019539

이름 더 보기

디에틸(3-아미노프로필)포스포네이트Diethyl (3-aminopropyl)phosphonate 95 %3-Aminopropylphosphonic acid diethyl esterPhosphonic acid, P-(3-aminopropyl)-, diethyl ester

Phosphonic acid, (3-aminopropyl)-, diethyl esterdiethyl(aminopropyl)phosphonateSCHEMBL4914883-DiethoxyphosphorylpropylamineCHEMBL158336AKOS006228886AS-62042Diethyl (3-aminopropyl)phosphonate, 97%

데이터베이스 식별자

CAS: 4402-24-8
PubChem CID: 78113
DTXSID: DTXSID80196016
ChEMBL: CHEMBL158336
EC Number: 224-535-6
Nikkaji: J205.780H

물성

구조 계산 물성

XLogP: -0.4
극성 표면적: 61.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 7
무거운 원자 수: 12
형식 전하: 0
복잡도: 142

물리화학적 성질

끓는 점: 114 · 114-116 °C(Press: 1.5 Torr)
밀도: 1.053 · 1.053
산도 계수 (pKa): 9.67 · 9.67±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (100%): 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 6 reports by companies from 2 notifications to the ECHA C&L Inventory.；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 CategoriesSkin Corr. 1B (100%)

안전 데이터

위험 등급: 8

화학 및 산업

응용 분야

용도Diethyl (3-aminopropyl)phosphonate is used in the preparation of tert-Butyl (2-((diethoxyphosphoryl)propyl)amino)-3,4-dioxocyclobut-1- en-1-yl)carbamate by reacting with tert-butyl (2-ethoxy-3,4-dioxocyclobut-1-en-1-yl)carbamate.