C-(1H-이미다졸-2-YL)-메틸아민

2-aminomethyl-1H-imidazole

HCID 1382041

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 53332-80-2
표준 SMILES: NCc1ncc[nH]1
InChIKey: CRZDNISJUXVSKX-UHFFFAOYSA-N
분자식: C4H7N3
평균 분자량: 97.12 g/mol
단동위원소 질량: 97.06399724

이름 및 식별자

우선 이름: 2-aminomethyl-1H-imidazole
IUPAC: 1H-imidazol-2-ylmethanamine
현지명: C-(1H-이미다졸-2-YL)-메틸아민
영어명: C-(1H-IMIDAZOL-2-YL)-METHYLAMINE
분자식: C4H7N3
분자량: 97.12

이름 및 동의어

2-Aminomethyl-1H-imidazoleRefChem:43839853332-80-2(1H-imidazol-2-yl)methanamineC-(1H-Imidazol-2-yl)-methylamine1H-imidazol-2-ylmethanamine1H-imidazole-2-methanamine1-(1H-imidazol-2-yl)methanamineMFCD04114001(1H-imidazol-2-ylmethyl)amineimidazol-2-ylmethylamine2-(aminomethyl)imidazole

이름 더 보기

C-(1H-이미다졸-2-YL)-메틸아민2-AMINOMETHYLIMIDAZOLE.HCL(1H-Imidazol-2-yl)methylamine1H-Imidazole-2-methanamine (9CI, ACI)(1H-imidazol-2-ylmethyl)amine hydrochloride(1H-imidazol-2-ylmethyl)amine(SALTDATA: 1.95HCl 0.2H2O)

2-AMINOMETHYLIMIDAZOLESCHEMBL6339452-(aminomethyl)-1h-imidazoleSCHEMBL1372542SCHEMBL4685302SCHEMBL6433665DTXSID30362547CRZDNISJUXVSKX-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 53332-80-2
PubChem CID: 1382041
DTXSID: DTXSID30362547
EC Number: 674-531-7
Nikkaji: J1.195.045K

물성

구조 계산 물성

XLogP: -1
극성 표면적: 54.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 7
형식 전하: 0
복잡도: 54

물리화학적 성질

끓는 점: 341.4 · 341.4±25.0 °C(Predicted)
밀도: 1.199 · 1.199±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 13.86 · 13.86±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.