(2-아미노-5-FLUORO-PHENYL)-탄소산TERT-BUTYL에스테르

N2-(tert-Butoxycarbonyl)-4-fluoro-1,2-phenylenediamine

HCID 53420357

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 362670-07-3
표준 SMILES: CC(C)(C)OC(=O)Nc1cc(F)ccc1N
InChIKey: FELBQUPQCJZQQX-UHFFFAOYSA-N
분자식: C11H15FN2O2
평균 분자량: 226.25 g/mol
단동위원소 질량: 226.11175589

이름 및 식별자

우선 이름: N2-(tert-Butoxycarbonyl)-4-fluoro-1,2-phenylenediamine
IUPAC: tert-butyl N-(2-amino-5-fluorophenyl)carbamate
현지명: (2-아미노-5-FLUORO-PHENYL)-탄소산TERT-BUTYL에스테르
영어명: (2-Amino-5-fluoro-phenyl)-carbamic acid tert-butyl ester
분자식: C11H15FN2O2
분자량: 226.25

이름 및 동의어

N2-(tert-Butoxycarbonyl)-4-fluoro-1,2-phenylenediamineRefChem:831524808-763-9362670-07-3tert-Butyl (2-amino-5-fluorophenyl)carbamate(2-AMINO-5-FLUORO-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTERTERT-BUTYL N-(2-AMINO-5-FLUOROPHENYL)CARBAMATEMFCD07787180Carbamic acid, N-(2-amino-5-fluorophenyl)-, 1,1-dimethylethyl esterN2-Boc-4-fluoro-1,2-phenylenediaminetert-butyl N-(2-amino-5-fluoro-phenyl)carbamateSCHEMBL826795

이름 더 보기

(2-아미노-5-FLUORO-PHENYL)-탄소산TERT-BUTYL에스테르N2 - (t-butyloxycarbonyl) - 4-fluoro-1,2-phenylenediamineCarbamic acid,N-(2-amino-5-fluorophenyl)-, 1,1-dimethylethyl ester

SCHEMBL29549489DTXSID80697614FELBQUPQCJZQQX-UHFFFAOYSA-NN1-Boc-5-fluorobenzene-1,2-diamineAKOS017558502SB36835AS-39524SY055223

데이터베이스 식별자

CAS: 362670-07-3
PubChem CID: 53420357
DTXSID: DTXSID80697614
EC Number: 808-763-9

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 64.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 253

물리화학적 성질

녹는점: 100 to · 100.0 to 104.0 °C
저장 조건: 2 · Storage temp. 2-8°C

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.