2-(4-TERT-부틸페닐)에틸아민

2-(4-Tert-butylphenyl)ethan-1-amine

HCID 2735689CAS 91552-82-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)c1ccc(CCN)cc1
InChIKey: WKCZSFRAGKIIKN-UHFFFAOYSA-N
분자식: C12H19N
평균 분자량: 177.29 g/mol
단동위원소 질량: 177.15174961

이름 및 식별자

우선 이름: 2-(4-Tert-butylphenyl)ethan-1-amine
IUPAC: 2-(4-tert-butylphenyl)ethanamine
현지명: 2-(4-TERT-부틸페닐)에틸아민
영어명: 2-(4-tert-Butylphenyl)ethylamine
분자식: C12H19N
분자량: 177.29

이름 및 동의어

2-(4-tert-butylphenyl)ethan-1-amineRefChem:458376671-024-291552-82-82-(4-tert-Butylphenyl)ethylamine2-(4-(tert-Butyl)phenyl)ethanamine2-(4-tert-butylphenyl)ethanamine2-(4-tert-butylphenyl)ethyalmineMFCD00082596Butylphenylethylamine; 97%CHEMBL4748824-(tert-butyl)phenethylamine

이름 더 보기

2-(4-TERT-부틸페닐)에틸아민RARECHEM AL BW 0742Butylphenylethylamine2-(4-tert-Butylphenyl)ethylamin2-(4-tert-Butylphenyl)ethylamine 97%4-(1,1-Dimethylethyl)-benzeneethanamine

Benzeneethanamine, 4-(1,1-dimethylethyl)-4-tert-butyl-phenethylamine2-(4-t-Buphenyl)ethylamineSCHEMBL716077SCHEMBL6314116DTXSID50370886WKCZSFRAGKIIKN-UHFFFAOYSA-N2-[4-(t-butyl)phenyl]ethylamine

데이터베이스 식별자

CAS: 91552-82-8
PubChem CID: 2735689
DTXSID: DTXSID50370886
ChEMBL: CHEMBL474882
EC Number: 671-024-2
Nikkaji: J1.046.835C

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 138

물리화학적 성질

끓는 점: 80 °C · 80 °C
밀도: 0.92 · 0.920±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 10.04 · 10.04±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H227 (50%): Combustible liquid [Warning Flammable liquids]

P210, P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403, 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.