CAS 6314-43-8 1-Benzothiophen-2-ylmethylamine (HCID 237074)

기본 정보

CAS: 6314-43-8
표준 SMILES: NCc1cc2ccccc2s1
InChIKey: WKYFWFHTABURGB-UHFFFAOYSA-N
분자식: C9H9NS
평균 분자량: 163.24 g/mol
단동위원소 질량: 163.04557029

이름 및 식별자

우선 이름: 1-Benzothiophen-2-ylmethylamine
IUPAC: 1-benzothiophen-2-ylmethanamine
현지명: 1-벤조티오펜-2-일메틸라민
영어명: 1-Benzothiophen-2-ylmethylamine
분자식: C9H9NS
분자량: 163.24

이름 및 동의어

1-benzothiophen-2-ylmethylamineRefChem:429628802-241-46314-43-8benzo[b]thiophen-2-ylmethanamineBenzo[b]thiophene-2-methanamine1-benzothiophen-2-ylmethanamineMFCD00965305(1-benzothiophen-2-yl)methanamineNSC40287NSC-402871-(1-benzothiophen-2-yl)methanamine

이름 더 보기

1-벤조티오펜-2-일메틸라민benzothiophen-2-ylmethanamineBenzo[b]thiophene-2-methylamine1-Benzothiophene-2-ylmethylamineBenzo[b]thiophen-2-ylmethylamine2-(Aminomethyl)benzo[b]thiophene2-(Aminomethyl)-1-benzothiophene

Oprea1_6794042-(Aminomethyl)benzothiopheneSCHEMBL240588D9FKN7348U(1-benzothien-2-ylmethyl)amineCHEMBL1770735STK064350SY034711

데이터베이스 식별자

CAS: 6314-43-8
PubChem CID: 237074
DTXSID: DTXSID50285047
ChEMBL: CHEMBL1770735
UNII: D9FKN7348U
EC Number: 802-241-4
Nikkaji: J673.441C

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 54.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 138

물리화학적 성질

녹는점: 58 °C · 58 °C
끓는 점: 110 · 110-12°C 0,25mm
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태: solid
InChI: 1S/C9H9NS/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5H,6,10H2
InChIKey: WKYFWFHTABURGB-UHFFFAOYSA-N
SMILES: NCc1cc2ccccc2s1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P337+P317, P363, 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.