tert-butyl N-methyl-N-(prop-2-yn-1-yl)carbamate

HCID 18366137

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 124045-51-8
표준 SMILES: C#CCN(C)C(=O)OC(C)(C)C
InChIKey: QVMLIHFGUIRVKU-UHFFFAOYSA-N
분자식: C9H15NO2
평균 분자량: 169.22 g/mol
단동위원소 질량: 169.11027872

이름 및 식별자

우선 이름: tert-butyl N-methyl-N-(prop-2-yn-1-yl)carbamate
IUPAC: tert-butyl N-methyl-N-prop-2-ynylcarbamate
영어명: tert-butyl methyl(prop-2-ynyl)carbamate
분자식: C9H15NO2
분자량: 169.22

이름 및 동의어

tert-butyl N-methyl-N-(prop-2-yn-1-yl)carbamateRefChem:896452829-106-2124045-51-8tert-Butyl methyl(prop-2-yn-1-yl)carbamatetert-butyl N-methyl-N-prop-2-ynylcarbamateMFCD22548360N-Boc-N-methyl-propargylamineCarbamic acid, N-methyl-N-2-propyn-1-yl-, 1,1-dimethylethyl esterTERT-BUTYL METHYL(PROP-2-YNYL)CARBAMATEN-Boc-N-methyl-2-propyn-1-aminetert-butyl N-methyl-N-prop-2-ynyl-carbamate

이름 더 보기

N-t-butoxycarbonyl-N-methylpropargylamineCarbamic acid, methyl-2-propynyl-, 1,1-dimethylethyl ester

N-Boc-N-methylpropargylamineBoc-N-methypropargylamineBoc-N-methylpropargylamineN-Boc-N-methylpropargyl amineSCHEMBL1743767DTXSID50593159QVMLIHFGUIRVKU-UHFFFAOYSA-NZEA04551

데이터베이스 식별자

CAS: 124045-51-8
PubChem CID: 18366137
DTXSID: DTXSID50593159
EC Number: 829-106-2
Nikkaji: J2.444.151B

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 206

물리화학적 성질

끓는 점: 206.9 · 206.9±19.0 °C(Predicted)
밀도: 0.985 · 0.985±0.06 g/cm3(Predicted)
산도 계수 (pKa): -1.73 · -1.73±0.70(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H227 (50%): Combustible liquid [Warning Flammable liquids]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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. 4 (50%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H227

화학 및 산업

공급사31 곳

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]

Sichuan Biosynce Pharmatech Co., Ltd.[email protected]

武汉布林科技有限公司3456065315 13260619011 · [email protected]

화합물 노트

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