Methyl 2-(bis((tert-butoxy)carbonyl)amino)prop-2-enoate

HCID 10870342CAS 201338-62-7

기본 정보

표준 SMILES: C=C(C(=O)OC)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIKey: XTHKWMJJDXMJHI-UHFFFAOYSA-N
분자식: C14H23NO6
평균 분자량: 301.34 g/mol
단동위원소 질량: 301.15253745

이름 및 식별자

우선 이름: Methyl 2-(bis((tert-butoxy)carbonyl)amino)prop-2-enoate
IUPAC: methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]prop-2-enoate
영어명: METHYL 2-(BIS[(TERT-BUTOXY)CARBONYL]AMINO)PROP-2-ENOATE(WXG03125)
분자식: C14H23NO6
분자량: 301.34

이름 및 동의어

201338-62-7methyl 2-{bis[(tert-butoxy)carbonyl]amino}prop-2-enoateMETHYL 2-(BIS[(TERT-BUTOXY)CARBONYL]AMINO)PROP-2-ENOATEMethyl 2-(bis((tert-butoxy)carbonyl)amino)prop-2-enoateRefChem:813642856-680-1Methyl 2-(bis(tertbutoxycarbonyl)amino)acrylateMethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]prop-2-enoateMFCD11975773METHYL 2-(BIS(TERT-BUTOXYCARBONYL)AMINO)ACRYLATE2-[Bis[(1,1-dimethylethoxy)carbonyl]amino]-,methyl ester-2-Propenoic acidmethyl 2-[bis(tert-butoxycarbonyl)amino]acrylate

이름 더 보기

METHYL 2-(BIS[(TERT-BUTOXY)CARBONYL]AMINO)PROP-2-ENOATE(WXG03125)2-Propenoic acid, 2-[bis[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester

SCHEMBL626905XTHKWMJJDXMJHI-UHFFFAOYSA-NMethyl 2-[Bis(Boc)amino]acrylateBIA33862AKOS033813832AT24934AS-94960SY151860

데이터베이스 식별자

CAS: 201338-62-7
PubChem CID: 10870342
EC Number: 856-680-1
Nikkaji: J1.108.186J

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 82.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 7
무거운 원자 수: 21
형식 전하: 0
복잡도: 413

물리화학적 성질

녹는점: 54 · 54-55 °C
끓는 점: 350.4 · 350.4±44.0 °C(Predicted)
밀도: 1.106 · 1.106±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, stored under nitrogen
산도 계수 (pKa): -2.97 · -2.97±0.70(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

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]

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, 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.