(1-메틸-1H-이미다졸-5-일)메틸아민

1-Methyl-5-aminomethylimidazole

HCID 2795424

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 486414-86-2
표준 SMILES: Cn1cncc1CN
InChIKey: PYAQTQXFMQWCHQ-UHFFFAOYSA-N
분자식: C5H9N3
평균 분자량: 111.15 g/mol
단동위원소 질량: 111.0796473

이름 및 식별자

우선 이름: 1-Methyl-5-aminomethylimidazole
IUPAC: (3-methylimidazol-4-yl)methanamine
현지명: (1-메틸-1H-이미다졸-5-일)메틸아민
영어명: (1-METHYL-1H-IMIDAZOL-5-YL)METHYLAMINE
분자식: C5H9N3
분자량: 111.15

이름 및 동의어

486414-86-21-Methyl-5-aminomethylimidazoleDTXSID00383663RefChem:231934DTXCID70334687(1-Methyl-1h-Imidazol-5-Yl)Methylamine(1-methyl-1H-imidazol-5-yl)methanamine(3-methylimidazol-4-yl)methanamineMFCD062008585-(Aminomethyl)-1-methyl-1H-imidazole1H-Imidazole-5-methanamine, 1-methyl-C-(3-METHYL-3H-IMIDAZOL-4-YL)-METHYLAMINE

이름 더 보기

(1-메틸-1H-이미다졸-5-일)메틸아민Compound Fr138371-Methyl-5-aMinoMethyliMi...1-Methyl-5-aminomethylimidazole 97%5-(Aminomethyl)-1-methyl-1H-imidazole97%

SCHEMBL240920orb3170129CHEMBL4528337PYAQTQXFMQWCHQ-UHFFFAOYSA-N1-Methyl-5-(aminomethyl)imidazoleFr13837AKOS006335674AC-7137

데이터베이스 식별자

CAS: 486414-86-2
PubChem CID: 2795424
DTXSID: DTXSID00383663
ChEMBL: CHEMBL4528337
EC Number: 803-736-8

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: 100 °C · 100 °C
밀도: 1.16 · 1.16±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
물리적 상태: 액체
산도 계수 (pKa): 9.38 · 9.38±0.29(Predicted)
색상: 맑은 연한 노란색
InChI: InChI=1S/C5H9N3/c1-8-4-7-3-5(8)2-6/h3-4H,2,6H2,1H3
InChIKey: PYAQTQXFMQWCHQ-UHFFFAOYSA-N
SMILES: C1N(C)C(CN)=CN=1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.