CAS 866782-00-5 2-(4-Chlorophenyl)-2-(morpholin-4-yl)ethan-1-amine (HCID 16461923)

기본 정보

CAS: 866782-00-5
표준 SMILES: NCC(c1ccc(Cl)cc1)N1CCOCC1
InChIKey: OIWUWMGJYGAUJR-UHFFFAOYSA-N
분자식: C12H17ClN2O
평균 분자량: 240.73 g/mol
단동위원소 질량: 240.10294084

이름 및 식별자

우선 이름: 2-(4-Chlorophenyl)-2-(morpholin-4-yl)ethan-1-amine
IUPAC: 2-(4-chlorophenyl)-2-morpholin-4-ylethanamine
현지명: 2-(4-클로로-페닐)-2-모폴린-4-일-에틸아민
영어명: 2-(4-Chloro-phenyl)-2-morpholin-4-yl-ethylamine
분자식: C12H17ClN2O
분자량: 240.73

이름 및 동의어

866782-00-52-(4-chlorophenyl)-2-(morpholin-4-yl)ethan-1-amineDTXSID90586106RefChem:457348DTXCID20536871973-488-42-(4-CHLORO-PHENYL)-2-MORPHOLIN-4-YL-ETHYLAMINE4-Morpholineethanamine,b-(4-chlorophenyl)-2-(4-chlorophenyl)-2-morpholinoethanamine2-(4-Chlorophenyl)-2-morpholinoethylamine2-(4-chlorophenyl)-2-morpholin-4-ylethanamine2-(4-chlorophenyl)-2-morpholin-4-ylethylamine

이름 더 보기

2-(4-클로로-페닐)-2-모폴린-4-일-에틸아민OTAVA-BB BB70204102404-Morpholineethanamine, β-(4-chlorophenyl)-beta-(4-Chlorophenyl)-4-morpholineethanamine

2-(4-Chlorophenyl)-2-(morpholin-4-yl)EthylamineMFCD08437446SCHEMBL8276868OIWUWMGJYGAUJR-UHFFFAOYSA-NRJB78200SBB016709AKOS000149631AKOS016040397

데이터베이스 식별자

CAS: 866782-00-5
PubChem CID: 16461923
DTXSID: DTXSID90586106
EC Number: 973-488-4

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 38.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 201

물리화학적 성질

끓는 점: 348.1 · 348.1±37.0 °C(Predicted)
밀도: 1.205 · 1.205±0.06 g/cm3(Predicted)
산도 계수 (pKa): 9.01 · 9.01±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.