2-TERT-BUTOXYCARBONYLAMINO-ACRYLICACID메틸에스테르

Methyl 2-((tert-butoxycarbonyl)amino)prop-2-enoate

HCID 10932500

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 55477-80-0
표준 SMILES: C=C(NC(=O)OC(C)(C)C)C(=O)OC
InChIKey: MGBHVVGQPZDMHA-UHFFFAOYSA-N
분자식: C9H15NO4
평균 분자량: 201.22 g/mol
단동위원소 질량: 201.10010796

이름 및 식별자

우선 이름: Methyl 2-((tert-butoxycarbonyl)amino)prop-2-enoate
IUPAC: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate
현지명: 2-TERT-BUTOXYCARBONYLAMINO-ACRYLICACID메틸에스테르
영어명: 2-tert-Butoxycarbonylamino-acrylic acid methyl ester
분자식: C9H15NO4
분자량: 201.22

이름 및 동의어

DTXSID70448798methyl 2-[(tert-butoxycarbonyl)amino]prop-2-enoateMethyl 2-((tert-butoxycarbonyl)amino)prop-2-enoateRefChem:1089291DTXCID1039961955477-80-0Methyl 2-tert-butyloxycarbonylaminoacrylate2-TERT-BUTOXYCARBONYLAMINO-ACRYLIC ACID METHYL ESTERMFCD03840371methyl 2-(tert-butoxycarbonylamino)prop-2-enoateMethyl 2-((tert-butoxycarbonyl)amino)acrylateMethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate

이름 더 보기

2-TERT-BUTOXYCARBONYLAMINO-ACRYLICACID메틸에스테르BOC-DEHYDRO-ALANINE METHYL ESTERMethyl 2-(tert-Butoxycarbonyl)acrylate2-TERT-BUTOXYCARBONYLAMINO-ACRYLIC ACIDMethyl 2-tert-butoxycarbonylaMiNAacrylateMethyl 2-tert-butoxycarbonylaminoacrylateMethyl2-tert-ButyloxycarbonylaminoacrylateN-(tert-Butoxycarbonyl)dehydroalanine Methyl Ester

2-tert-Butoxycarbonylaminoacrylic acid methyl esterSCHEMBL295520CS-0014186methyl 2-[(tert-butoxycarbonyl)amino]acrylatemethyl 2-{[(tert-butoxy)carbonyl]amino}prop-2-enoatemethyl 2-(boc-amino)acrylate2-(Boc-amino)-2-propenoic acid methyl ester7KHR4EFR6T

데이터베이스 식별자

CAS: 55477-80-0
PubChem CID: 10932500
DTXSID: DTXSID70448798
UNII: 7KHR4EFR6T
EC Number: 155-541-6
Nikkaji: J531.569G

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 64.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 14
형식 전하: 0
복잡도: 252

물리화학적 성질

끓는 점: 265.3 · 265.3±32.0 °C(Predicted)
밀도: 1.071 · 1.071±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 9.55 · 9.55±0.46(Predicted)
InChI: InChI=1S/C9H15NO4/c1-6(7(11)13-5)10-8(12)14-9(2,3)4/h1H2,2-5H3,(H,10,12)
InChIKey: MGBHVVGQPZDMHA-UHFFFAOYSA-N
SMILES: C(OC)(=O)C(NC(OC(C)(C)C)=O)=C

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.