(1-메틸-1H-이미다졸-4-일)메틸아민

(1-methyl-1H-imidazol-4-yl)methanamine

HCID 2795114

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 486414-83-9
표준 SMILES: Cn1cnc(CN)c1
InChIKey: YSEAGFBRAQOCFM-UHFFFAOYSA-N
분자식: C5H9N3
평균 분자량: 111.15 g/mol
단동위원소 질량: 111.07964729

개요

(1-Methyl-1H-imidazol-4-yl)methylamine is an aralkylamine.

이름 및 식별자

우선 이름: (1-methyl-1H-imidazol-4-yl)methanamine
IUPAC: (1-methylimidazol-4-yl)methanamine
현지명: (1-메틸-1H-이미다졸-4-일)메틸아민
영어명: (1-Methyl-1H-imidazol-4-yl)methylamine
분자식: C5H9N3
분자량: 111.15

이름 및 동의어

486414-83-9(1-methyl-1H-imidazol-4-yl)methanamineDTXSID40383546RefChem:204599DTXCID60334570691-154-3(1-Methyl-1H-imidazol-4-yl)methylamine(1-methylimidazol-4-yl)methanamine4-(AMINOMETHYL)-1-METHYLIMIDAZOLE1H-Imidazole-4-methanamine, 1-methyl-MFCD06411536AS-34260

이름 더 보기

(1-메틸-1H-이미다졸-4-일)메틸아민1-Methyl-1H-iMidazol-4-yl4-(AMinoMethyl)-1-Methyli...1-Methyl-1H-imidazol-4-methanamine1-Methyl-1H-imidazole-4-methanamine

SY035068[(1-methyl-1H-imidazol-4-yl)methyl]amine4-(Aminomethyl)-1-methyl-1H-imidazoleA7342(1-Methyl-1H-imidazol-SCHEMBL246132orb30298281-Methylimidazol-4-ylmethanamine

데이터베이스 식별자

CAS: 486414-83-9
PubChem CID: 2795114
DTXSID: DTXSID40383546
ChEBI: CHEBI:194868
EC Number: 691-154-3

물성

구조 계산 물성

XLogP: -1.1
극성 표면적: 43.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 74.1

물리화학적 성질

끓는 점: 104 °C · 104 °C
밀도: 1.16 · 1.16±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 8.23 · 8.23±0.29(Predicted)
물리적 상태: 액체
색상: 노란색
InChI: 1S/C5H9N3/c1-8-3-5(2-6)7-4-8/h3-4H,2,6H2,1H3
InChIKey: YSEAGFBRAQOCFM-UHFFFAOYSA-N
SMILES: Cn1cnc(CN)c1

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+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

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