N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine

HCID 578640CAS 384858-14-4

기본 정보

표준 SMILES: COc1ccc(CNc2nccs2)cc1
InChIKey: YEBFQWDWWRXAOH-UHFFFAOYSA-N
분자식: C11H12N2OS
평균 분자량: 220.29 g/mol
단동위원소 질량: 220.06703418

이름 및 식별자

우선 이름: N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
IUPAC: N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
영어명: N-(4-Methoxybenzyl)thiazol-2-amine
분자식: C11H12N2OS
분자량: 220.29

이름 및 동의어

N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amineDTXSID501325725N-((4-methoxyphenyl)methyl)-1,3-thiazol-2-amineRefChem:828802DTXCID401755133870-430-9384858-14-4N-(4-methoxybenzyl)thiazol-2-amine(4-Methoxy-benzyl)-thiazol-2-yl-amineN-(4-Methoxybenzyl)-1,3-thiazol-2-amineCBMicro_004327Cambridge id 6125166

이름 더 보기

2-Thiazolamine, N-[(4-methoxyphenyl)methyl]-

Oprea1_558914Oprea1_740854MLS001204989CHEMBL1530212SCHEMBL15011086HMS2820A03JQA85814SMSF0014574

데이터베이스 식별자

CAS: 384858-14-4
PubChem CID: 578640
DTXSID: DTXSID501325725
ChEMBL: CHEMBL1530212
EC Number: 870-430-9
Nikkaji: J791.641H

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 62.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 15
형식 전하: 0
복잡도: 183

실험 및 물리화학적 성질

Solubility19.5 [ug/mL] (The mean of the results at pH 7.4)

물리화학적 성질

녹는점: 147.4 · 147.4-148 °C
끓는 점: 371.5 · 371.5±44.0 °C(Predicted)
밀도: 1.249 · 1.249±0.06 g/cm3(Predicted)
산도 계수 (pKa): 4.38 · 4.38±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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.