5-[[(2-아미노에틸)티오]메틸]-N,N-디메틸-2-푸르푸릴아민

5-(((2-Aminoethyl)thio)methyl)-N,N-dimethyl-2-furanmethanamine

HCID 162203CAS 66356-53-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CN(C)Cc1ccc(CSCCN)o1
InChIKey: JFGCGQJHMUYGLU-UHFFFAOYSA-N
분자식: C10H18N2OS
평균 분자량: 214.33 g/mol
단동위원소 질량: 214.1139842

개요

intermediate in synthesis of ranitidine; may cause contact dermatitis; structure given in first source

이름 및 식별자

우선 이름: 5-(((2-Aminoethyl)thio)methyl)-N,N-dimethyl-2-furanmethanamine
IUPAC: 2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethanamine
현지명: 5-[[(2-아미노에틸)티오]메틸]-N,N-디메틸-2-푸르푸릴아민
영어명: 5-[[(2-Aminoethyl)thio]methyl]-N,N-dimethyl-2-furfurylamine
분자식: C10H18N2OS
분자량: 214.33

이름 및 동의어

66356-53-4S8W8I89W435-[[(2-aminoethyl)thio]methyl]-N,N-dimethyl-2-furanmethanamineDTXSID202165805-(((2-Aminoethyl)thio)methyl)-N,N-dimethyl-2-furanmethanamine5-((2-Aminoethyl)thiomethyl)-N,N-dimethyl-2-furanmethanamineRefChem:5284195-ADFMDTXCID50139071266-330-42-(2-Aminoethylthiomethyl)-5-dimethylaminomethylfuranN- Hydro Ranitidine

이름 더 보기

5-[[(2-아미노에틸)티오]메틸]-N,N-디메틸-2-푸르푸릴아민Cystolfur baseRANITIDINE IMPURITY BRanitidine EP Impurity BRanitidine Impurity B HClRanitidine Impurity B (EP)USP Ranitidine Related Compound A2-[[[5-[(Dimethylamino)-methyl]furaRanitidine Hydrochloride EP Impurity BRanitidine BP Impurity B（Ranitidine USP RC A）

2-((2-Aminoethylthio)methyl)-5-((N,N-dimethylamino)methyl)furan2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethanamineCHEMBL37799562-[({5-[(dimethylamino)methyl]-2-furyl}methyl)thio]ethan-1-amine2-Furanmethanamine, 5-[[(2-aminoethyl)thio]methyl]-N,N-dimethyl-MFCD002772022-[([5-[(Dimethylamino)methyl]-2-furyl]methyl)thio]ethan-1-amine2-[[5-[(dimethylamino)methyl]-2-furyl]methylsulfanyl]ethanamine

데이터베이스 식별자

CAS: 66356-53-4
PubChem CID: 162203
DTXSID: DTXSID20216580
ChEMBL: CHEMBL3779956
UNII: S8W8I89W43
EC Number: 266-330-4
Nikkaji: J286.773G

물성

구조 계산 물성

XLogP: -1
극성 표면적: 67.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 6
무거운 원자 수: 14
형식 전하: 0
복잡도: 155

물리화학적 성질

끓는 점: 106 °C/0.1mmHg · 106°C/0.1mmHg(lit.)
밀도: 1.094 · 1.094±0.06 g/cm3(Predicted)
굴절률: 1.53 to · 1.5300 to 1.5340
저장 조건: Refrigerator
용해도: 클로로포름, 에틸아세테이트에 용해됨
물리적 상태: 기름
산도 계수 (pKa): 8.93 · 8.93±0.10(Predicted)
색상: 맑은 노란색에서 노란색까지

화학적 성질

Clear Light Yellow Oil

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H317 (95.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P319, P321, P333+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.