CAS 408356-52-5 (1H-Indol-7-YL)methanamine (HCID 21950026)

기본 정보

CAS: 408356-52-5
표준 SMILES: NCc1cccc2cc[nH]c12
InChIKey: NMNYQFZHZZSSQC-UHFFFAOYSA-N
분자식: C9H10N2
평균 분자량: 146.19 g/mol

이름 및 식별자

우선 이름: (1H-Indol-7-YL)methanamine
IUPAC: 1H-indol-7-ylmethanamine
현지명: C-(1H-INDOL-7-YL)-메틸라민
영어명: C-(1H-Indol-7-yl)-methylamine
분자식: C9H10N2
분자량: 146.19

이름 및 동의어

408356-52-5(1H-INDOL-7-YL)METHANAMINE1H-indol-7-ylmethanamine7-(Aminomethyl)indole1H-Indole-7-methanamineC-(1H-Indol-7-yl)-methylamineMFCD06656873(Indol-7-yl)methylamine(1H-Indol-7-yl)methylamine oxalate(1H-Indol-7-yl)methylaminec-(1h-indol-7-yl)methylamineSCHEMBL2260333

이름 더 보기

C-(1H-INDOL-7-YL)-메틸라민INDOLE-7-METHYLAMINE1H-INDOL-7-YL-METHYLAMINEN-methyl-1H-indol-7-amine1H-indol-7-ylmethanamine - [K23569]

CHEMBL4535345NMNYQFZHZZSSQC-UHFFFAOYSA-NAKOS006281243AS-54213SY035480CS-0052535EN300-171075P17636

데이터베이스 식별자

CAS: 408356-52-5
PubChem CID: 21950026
ChEMBL: CHEMBL4535345
EC Number: 881-251-0

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 41.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 136

물리화학적 성질

끓는 점: 335.599 · 335.599±17.00 °C(Press: 760.00 Torr)(predicted)
밀도: 1.2 · 1.200±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 17.128 · 17.128±0.30(predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, 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.