4-(2-TERT-BUTOXYCARBONYLAMINO-ETHOXY)-벤조산

4-(2-((tert-Butoxycarbonyl)amino)ethoxy)benzoic acid

HCID 2755997CAS 168892-66-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)OC(=O)NCCOc1ccc(C(=O)O)cc1
InChIKey: COIQSXDNBXSYMY-UHFFFAOYSA-N
분자식: C14H19NO5
평균 분자량: 281.3 g/mol
단동위원소 질량: 281.12632271

이름 및 식별자

우선 이름: 4-(2-((tert-Butoxycarbonyl)amino)ethoxy)benzoic acid
IUPAC: 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]benzoic acid
현지명: 4-(2-TERT-BUTOXYCARBONYLAMINO-ETHOXY)-벤조산
영어명: 4-(2-TERT-BUTOXYCARBONYLAMINO-ETHOXY)-BENZOIC ACID
분자식: C14H19NO5
분자량: 281.3

이름 및 동의어

168892-66-84-(2-((tert-Butoxycarbonyl)amino)ethoxy)benzoic acid4-(2-tert-Butoxycarbonylamino-ethoxy)-benzoic acid4-[2-(Boc-amino)ethyloxy]benzoic acidMFCD04112670Benzoic acid,4-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethoxy]-4-[2-(Boc-amino)ethoxy]-benzoic acid4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]benzoic Acid4-{2-[(tert-butoxycarbonyl)amino]ethoxy}benzoic acid4-[2-(Boc-amino)ethyloxy]-benzoic acid4-(2-(tert-butoxycarbonylamino)ethoxy)benzoic acid4-[2-(tert-butoxycarbonylamino)ethoxy]benzoic acid

이름 더 보기

4-(2-TERT-BUTOXYCARBONYLAMINO-ETHOXY)-벤조산

4-(2-((tert-Butoxycarbonyl)amino)ethoxy)benzoicacidSCHEMBL1606333DTXSID40373184COIQSXDNBXSYMY-UHFFFAOYSA-NBenzoic acid, 4-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethoxy]-4-[2-(Boc-amino)ethoxy]benzoic AcidAKOS0158368204-(2-tert-Butoxycarbonylamino-ethoxy)-be

데이터베이스 식별자

CAS: 168892-66-8
PubChem CID: 2755997
DTXSID: DTXSID40373184
EC Number: 154-397-1

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 84.9 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 7
무거운 원자 수: 20
형식 전하: 0
복잡도: 329

물리화학적 성질

저장 조건: 2 · Sealed in dry,2-8°C

화학적 성질

White powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): 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)

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