5-브로모-N,N-디메틸트립타민

5-Bromo-N,N-Dimethyltryptamine

HCID 360252CAS 17274-65-6

기본 정보

표준 SMILES: CN(C)CCc1c[nH]c2ccc(Br)cc12
InChIKey: ATEYZYQLBQUZJE-UHFFFAOYSA-N
분자식: C12H15BrN2
평균 분자량: 267.16 g/mol
단동위원소 질량: 266.04186058

개요

5-bromodimethyltryptamine has been reported in Verongula rigida, Hymeniacidon perlevis, and other organisms with data available.

이름 및 식별자

우선 이름: 5-Bromo-N,N-Dimethyltryptamine
IUPAC: 2-(5-bromo-1H-indol-3-yl)-N,N-dimethylethanamine
현지명: 5-브로모-N,N-디메틸트립타민
영어명: 5-Bromo-N,N-dimethyltryptamine
분자식: C12H15BrN2
분자량: 267.16

이름 및 동의어

5-Bromo-N,N-dimethyltryptamine17274-65-65-Bromo-DMT2-(5-bromo-1H-indol-3-yl)-N,N-dimethylethanamine2F81I6UW8CNSC-6222721H-Indole-3-ethanamine, 5-bromo-N,N-dimethyl-(2-(5-Bromo-1H-indol-3-yl)ethyl)dimethylamineDTXSID90326928[2-(5-bromo-1H-indol-3-yl)ethyl]dimethylamineRefChem:102192DTXCID60278041

이름 더 보기

5-브로모-N,N-디메틸트립타민2-(5-Bromo-1H-indol-3-yl)-N,N-dimethylethan-1-amineN,N-Dimethyl-5-bromo-1H-indole-3-ethanamine1H-Indole-3-ethanamine,5-bromo-N,N-dimethyl-

5-Bromodimethyltryptamine5-Bromo-N,N-dimethyl-tryptamineUNII-2F81I6UW8C5-Bromo-3-[2-(N,N-dimethylamino)ethyl]-1H-indoleMFCD00209920NSC6222725-Bromo-N,N-DMT5-bromo-dimethyltryptamin

데이터베이스 식별자

CAS: 17274-65-6
PubChem CID: 360252
DTXSID: DTXSID90326928
ChEMBL: CHEMBL403031
UNII: 2F81I6UW8C
Nikkaji: J408.279F

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 19 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 208

물리화학적 성질

끓는 점: 382.6 · 382.6±32.0 °C(Predicted)
밀도: 1.397 · 1.397±0.06 g/cm3(Predicted)
용해도: 10 mg/ml; · DMF: 10 mg/ml; DMSO: 5 mg/ml; Ethanol: 20 mg/ml; Ethanol:PBS (pH 7.2) (1:1): 0.5 mg/ml
물리적 상태: 결정성 고체
산도 계수 (pKa): 16.28 · 16.28±0.30(Predicted)