tert-butyl 7-bromo-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indole-2-carboxylate

HCID 57950374CAS 1173155-30-0

기본 정보

표준 SMILES: CC(C)(C)OC(=O)N1CCc2[nH]c3cc(Br)ccc3c2C1
InChIKey: WJPASNZIMQXVHJ-UHFFFAOYSA-N
분자식: C16H19BrN2O2
평균 분자량: 351.24 g/mol

이름 및 식별자

우선 이름: tert-butyl 7-bromo-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indole-2-carboxylate
IUPAC: tert-butyl 7-bromo-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate
영어명: tert-butyl 7-bromo-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carboxylate
분자식: C16H19BrN2O2
분자량: 351.24

이름 및 동의어

1173155-30-0Tert-butyl 7-bromo-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indole-2-carboxylatetert-butyl 7-bromo-1,3,4,5-tetrahydro-2H-pyrido(4,3-b)indole-2-carboxylateRefChem:894488881-460-7tert-Butyl 7-bromo-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carboxylateMFCD213646297-Bromo-1,3,4,5-tetrahydro-pyrido[4,3-b]indole-2-carboxylic acid tert-butyl esterSCHEMBL3475272SCHEMBL29983936WJPASNZIMQXVHJ-UHFFFAOYSA-Ntert-butyl7-Bromo-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carboxylate

이름 더 보기

2H-Pyrido[4,3-b]indole-2-carboxylic acid, 7-bromo-1,3,4,5-tetrahydro-, 1,1-dimet…2H-Pyrido[4,3-b]indole-2-carboxylic acid, 7-bromo-1,3,4,5-tetrahydro-, 1,1-dimethylethyl ester

SB31002DB-174057CS-0062534D73221F6099532-Boc-7-Bromo-1,3,4,5-tetrahydro-pyrido[4,3-b]indolet-Butyl 7-bromo-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carboxylatetert-butyl 7-bromanyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate

데이터베이스 식별자

CAS: 1173155-30-0
PubChem CID: 57950374
EC Number: 881-460-7

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 45.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 21
형식 전하: 0
복잡도: 410

물리화학적 성질

끓는 점: 468.1 · 468.1±45.0 °C(Predicted)
밀도: 1.444 · 1.444±0.06 g/cm3(Predicted)
산도 계수 (pKa): 16.48 · 16.48±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)

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