tert-butyl 7-hydroxy-2,3,4,5-tetrahydro-1H-3-benzazepine-3-carboxylate

HCID 18173274

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 149354-10-9
표준 SMILES: CC(C)(C)OC(=O)N1CCc2ccc(O)cc2CC1
InChIKey: CUVFQINKSGIQML-UHFFFAOYSA-N
분자식: C15H21NO3
평균 분자량: 263.33 g/mol

이름 및 식별자

우선 이름: tert-butyl 7-hydroxy-2,3,4,5-tetrahydro-1H-3-benzazepine-3-carboxylate
IUPAC: tert-butyl 7-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate
영어명: 7-hydroxy-4,5-dihydro-1H-benzo[d]azepine-3(2H)-carboxylic acid
분자식: C15H21NO3
분자량: 263.33

이름 및 동의어

149354-10-9tert-butyl 7-hydroxy-2,3,4,5-tetrahydro-1H-3-benzazepine-3-carboxylateRefChem:894513815-545-7TERT-BUTYL 7-HYDROXY-4,5-DIHYDRO-1H-BENZO[D]AZEPINE-3(2H)-CARBOXYLATEtert-butyl 7-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate3-Boc-7-hydroxy-2,3,4,5-tetrahydro-1H-benzo[d]azepinetert-Butyl 7-hydroxy-1,2,4,5-tetrahydro-3H-benzo[d]azepine-3-carboxylateMFCD12408171SCHEMBL2132877CUVFQINKSGIQML-UHFFFAOYSA-NZFA35410

이름 더 보기

7-hydroxy-4,5-dihydro-1H-benzo[d]azepine-3(2H)-carboxylic acid3H-3-Benzazepine-3-carboxylic acid, 1,2,4,5-tetrahydro-7-hydroxy-, 1,1-dimethylethyl ester

AKOS022182692SB17684WS-01754DB-353091CS-0130873EN300-194201Z14968692713-(tert-Butyloxycarbonyl)-7-hydroxy-2,3,4,5-tetrahydro-1H-3-benzazepine

데이터베이스 식별자

CAS: 149354-10-9
PubChem CID: 18173274
EC Number: 815-545-7

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 49.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 19
형식 전하: 0
복잡도: 324

물리화학적 성질

끓는 점: 406 · 406.0±45.0 °C(Predicted)
밀도: 1.141 · 1.141±0.06 g/cm3(Predicted)
산도 계수 (pKa): 10.33 · 10.33±0.20(Predicted)

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.