2-아미노-1-(4-클로로페닐)에탄-1-올

2-Amino-1-(4-chlorophenyl)ethan-1-ol

HCID 412434CAS 41870-82-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NCC(O)c1ccc(Cl)cc1
InChIKey: QPHAZZJNYDEVHL-UHFFFAOYSA-N
분자식: C8H10ClNO
평균 분자량: 171.62 g/mol

이름 및 식별자

우선 이름: 2-Amino-1-(4-chlorophenyl)ethan-1-ol
IUPAC: 2-amino-1-(4-chlorophenyl)ethanol
현지명: 2-아미노-1-(4-클로로페닐)에탄-1-올
영어명: 2-Amino-1-(4-chlorophenyl)ethan-1-ol
분자식: C8H10ClNO
분자량: 171.6241

이름 및 동의어

2-amino-1-(4-chlorophenyl)ethan-1-olRefChem:463158838-203-941870-82-02-amino-1-(4-chlorophenyl)ethanol2-Amino-1-(4-chlorophenyl)-1-ethanolMFCD06797373(+)-a-(Aminomethyl)-p-chlorobenzyl alcoholp-Chlorphenylathanolamin2-?Amino-?1-?(4-?chlorophenyl)?-?1-?ethanolSCHEMBL296405QPHAZZJNYDEVHL-UHFFFAOYSA-N

이름 더 보기

2-아미노-1-(4-클로로페닐)에탄-1-올AKOS BBV-002955di-m-tolylmethanamine4-Chloro-beta-hydroxyphenethylamine 95%BENZENEMETHANOL, α-(AMINOMETHYL)-4-CHLORO-alpha-(Aminomethyl)-4-chlorobenzylalcohol95%alpha-(Aminomethyl)-4-chlorobenzyl alcohol 95%2-Amino-1-(4-chlorophenyl)ethan-1-ol, 4-Chloro-beta-hydroxyphenethylamine

p-CHLOROPHENYLALANINE_met006SBB079745AKOS000123538AKOS0160512632-hydroxy-2-(4-chlorophenyl) ethanamineSY036200alpha-(Aminomethyl)-4-chlorobenzyl alcoholalpha-(aminomethyl)-p-chlorobenzyl alcohol

데이터베이스 식별자

CAS: 41870-82-0
PubChem CID: 412434
EC Number: 838-203-9
Nikkaji: J532.119K

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 46.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 113

실험 및 물리화학적 성질

Collision Cross Section132.68 Å² [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

물리화학적 성질

녹는점: 93 · 93-96
끓는 점: 319.8 · 319.8±27.0 °C(Predicted)
밀도: 1.26 · 1.260±0.06 g/cm3(Predicted)
물리적 상태: 가루
산도 계수 (pKa): 11.83 · 11.83±0.35(Predicted)
색상: 하얀색

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, P317, 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.