CAS 129487-92-9 tert-Butyl 5-amino-2,3-dihydro-1H-indole-1-carboxylate (HCID 22240520)

기본 정보

CAS: 129487-92-9
표준 SMILES: CC(C)(C)OC(=O)N1CCc2cc(N)ccc21
InChIKey: JSNLQWAGJJGYOB-UHFFFAOYSA-N
분자식: C13H18N2O2
평균 분자량: 234.29 g/mol
단동위원소 질량: 234.13682782

이름 및 식별자

우선 이름: tert-Butyl 5-amino-2,3-dihydro-1H-indole-1-carboxylate
IUPAC: tert-butyl 5-amino-2,3-dihydroindole-1-carboxylate
현지명: 1-BOC-5-AMINO-2,3-DIHYDRO-인돌
영어명: 1-Boc-5-amino-2,3-dihydro-indole
분자식: C13H18N2O2
분자량: 234.29

이름 및 동의어

129487-92-9tert-butyl 5-amino-2,3-dihydro-1H-indole-1-carboxylateDTXSID40623732RefChem:383654DTXCID30574486813-012-3Tert-butyl 5-aminoindoline-1-carboxylate1-Boc-5-amino-2,3-dihydro-indole1-Boc-5-aminoindolinetert-butyl 5-amino-2,3-dihydroindole-1-carboxylateMFCD080592701H-Indole-1-carboxylic acid, 5-amino-2,3-dihydro-, 1,1-dimethylethyl ester

이름 더 보기

1-BOC-5-AMINO-2,3-DIHYDRO-인돌5-AMINO-1-BOC-2,3-DIHYDROINDOLE2-Methyl-2-Propanyl 5-Amino-1-Indolinecarboxylate6-Amino-3,4-dihydro-2H-quinoline-1-carboxylic acid tert-butyl ester

1-Boc-2,3-dihydro-1H-indol-5-amine5-Amino-2,3-dihydro-indole-1-carboxylic acid tert-butyl estertert-Butyl5-aminoindoline-1-carboxylateAKOS000302353SB32668tert-butyl-5-amino-1-indolinecarboxylateF12047Z332725462

데이터베이스 식별자

CAS: 129487-92-9
PubChem CID: 22240520

물성

구조 계산 물성

XLogP: 2
극성 표면적: 55.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 17
형식 전하: 0
복잡도: 298

물리화학적 성질

끓는 점: 385.2 · 385.2±41.0 °C(Predicted)
밀도: 1.177 · 1.177±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 5.44 · 5.44±0.20(Predicted)
물리적 상태: 액체
색상: 갈색

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)

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.