(2-하이드록시에틸)메틸카바민산1,1-디메틸에틸에스테르

N-(tert-Butoxycarbonyl)-N-methyl-2-aminoethanol

HCID 545700CAS 57561-39-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CN(CCO)C(=O)OC(C)(C)C
InChIKey: RFDSJHHLGFFVHD-UHFFFAOYSA-N
분자식: C8H17NO3
평균 분자량: 175.23 g/mol
단동위원소 질량: 175.1208434

이름 및 식별자

우선 이름: N-(tert-Butoxycarbonyl)-N-methyl-2-aminoethanol
IUPAC: tert-butyl N-(2-hydroxyethyl)-N-methylcarbamate
현지명: (2-하이드록시에틸)메틸카바민산1,1-디메틸에틸에스테르
영어명: (2-Hydroxyethyl)methylcarbamic acid 1,1-dimethylethyl ester
분자식: C8H17NO3
분자량: 175.23

이름 및 동의어

N-(tert-Butoxycarbonyl)-N-methyl-2-aminoethanolRefChem:828693805-204-057561-39-4tert-Butyl (2-hydroxyethyl)(methyl)carbamateN-Boc-N-methyl-aminoethanolN-Boc-N-methylethanolaminetert-butyl N-(2-hydroxyethyl)-N-methylcarbamatetert-Butyl 2-hydroxyethyl(methyl)carbamateMFCD03425857N-(TERT-BUTOXYCARBONYL)-N-METHYLETHANOLAMINE2-(N-BOC-N-METHYLAMINO)ETHANOL

이름 더 보기

(2-하이드록시에틸)메틸카바민산1,1-디메틸에틸에스테르N-T-BUTYLOXYCARBONYL-N-METHYL-AMINOETHANOLAKOS 92083Boc-Sar-OLN-Boc-N-methBOC,ME-N-ET-OH

2-(N-Methyl-N-Boc-amino)ethanol(2-HYDROXY-ETHYL)-METHYL-CARBAMIC ACID TERT-BUTYL ESTERBoc,Me-Glycinol(2-HYDROXYETHYL)METHYLCARBAMIC ACID 1,1-DIMETHYLETHYL ESTERDTXSID00337964tert-butyl 2-hydroxyethylmethylcarbamatetert-butyl(2-hydroxyethyl)(methyl)carbamate(2-hydroxyethyl)-methyl-carbamic acid tert-butyl ester

데이터베이스 식별자

CAS: 57561-39-4
PubChem CID: 545700
DTXSID: DTXSID00337964
EC Number: 805-204-0
Nikkaji: J2.004.996K

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 49.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 12
형식 전하: 0
복잡도: 151

물리화학적 성질

끓는 점: 120 · 120-126°C 4mm
밀도: 1.037 · 1.037±0.06 g/cm3(Predicted)
굴절률: 1.441 to · 1.4410 to 1.4460
저장 조건: -20 °C · Sealed in dry,Store in freezer, under -20°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 14.67 · 14.67±0.10(Predicted)
물리적 상태: 액체
색상: 무색~담황색
수용성: 디오클로로메탄에 용해됩니다. 물에 약간 용해됩니다.
InChI: InChI=1S/C8H17NO3/c1-8(2,3)12-7(11)9(4)5-6-10/h10H,5-6H2,1-4H3
InChIKey: RFDSJHHLGFFVHD-UHFFFAOYSA-N
SMILES: C(OC(C)(C)C)(=O)N(CCO)C

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.

Danger

H301 (92.7%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (92.7%)

안전 데이터

HS 번호: 2924297099
safety_code: 24/25

화학 및 산업

응용 분야

용도N-Boc-N-methylethanolamine is an substituent in the synthesis of anticancer agent, an orally bioavailable small molecule inhibitor of signal transducer and activator of transcription.