N-(BOC-아미노)프탈이미드

N-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)(tert-butoxy)formamide

HCID 801162

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 34387-89-8
표준 SMILES: CC(C)(C)OC(=O)NN1C(=O)c2ccccc2C1=O
InChIKey: IOPZBVFVFPPDSC-UHFFFAOYSA-N
분자식: C13H14N2O4
평균 분자량: 262.26 g/mol
단동위원소 질량: 262.09535693

이름 및 식별자

우선 이름: N-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)(tert-butoxy)formamide
IUPAC: tert-butyl N-(1,3-dioxoisoindol-2-yl)carbamate
현지명: N-(BOC-아미노)프탈이미드
영어명: N-(Boc-amino)phthalimide
분자식: C13H14N2O4
분자량: 262.26

이름 및 동의어

N-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)(tert-butoxy)formamideRefChem:823390838-781-234387-89-8TERT-BUTYL 1,3-DIOXOISOINDOLIN-2-YLCARBAMATEN-(Boc-amino)phthalimideN-(tert-Butoxycarbonylamino)phthalimidetert-butyl N-(1,3-dioxoisoindol-2-yl)carbamateMFCD00686624DTXSID10355437HMS1585G15CS-M1023

이름 더 보기

N-(BOC-아미노)프탈이미드104188N-Boc-N-TCPN-Boc-N-TCP N-(Boc-amino)phthalimideN-(Boc-amino)orthobenzenediformylisoamineTert-Butyl 1,3-Dioxoisoindolin-2-YIcarbamateCarbamic acid,N-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-Nμ-Boc-N,N-phthaloylhydrazine, N-(tert-Butoxycarbonylamino)phthalimide

tert-Butyl N-(1,3-dioxoisoindolin-2-yl)carbamateSB64089AS-19801t-butyl (1,3-dioxoisoindolin-2-yl)carbamateW10661tert-butyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)carbamatetert-Butyl 1,3FT-0685034

데이터베이스 식별자

CAS: 34387-89-8
PubChem CID: 801162
DTXSID: DTXSID10355437
EC Number: 123-538-9、838-781-2
Nikkaji: J1.383.950F

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 75.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 19
형식 전하: 0
복잡도: 389

물리화학적 성질

녹는점: 140 · 140-145 °C
밀도: 1.32 · 1.32±0.1 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: 50 mg/mL, · 테트라히드로푸란: 50mg/mL, 투명, 무색
산도 계수 (pKa): 7.46 · 7.46±0.20(Predicted)
InChI: InChI=1S/C13H14N2O4/c1-13(2,3)19-12(18)14-15-10(16)8-6-4-5-7-9(8)11(15)17/h4-7H,1-3H3,(H,14,18)
InChIKey: IOPZBVFVFPPDSC-UHFFFAOYSA-N
SMILES: C(OC(C)(C)C)(=O)NN1C(=O)C2=C(C1=O)C=CC=C2

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

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.