2-(1H-imidazol-1-yl)ethanamine

HCID 430667CAS 5739-10-6

기본 정보

표준 SMILES: NCCn1ccnc1
InChIKey: YCIRHAGYEUJTFH-UHFFFAOYSA-N
분자식: C5H9N3
평균 분자량: 111.15 g/mol
단동위원소 질량: 111.07964729

이름 및 식별자

우선 이름: 2-(1H-imidazol-1-yl)ethanamine
IUPAC: 2-imidazol-1-ylethanamine
영어명: 2-(1H-Imidazol-1-yl)ethanamine
분자식: C5H9N3
분자량: 111.15

이름 및 동의어

2-(1H-Imidazol-1-yl)ethanamineRefChem:451399815-875-15739-10-61H-Imidazole-1-ethanamine2-Imidazol-1-yl-ethylamine2-(1H-imidazol-1-yl)ethan-1-amine2-imidazol-1-ylethanamine1-(2-aminoethyl)imidazoleMFCD030930422-imidazolylethylamine[2-(1H-IMIDAZOL-1-YL)ETHYL]AMINE

이름 더 보기

2-ethyl imidazoleamineN-(2-Aminoethyl)imidazole1H-Imidazole-1-ethanamine 2HCl2-Imidazol-1-yl-ethylamine15002-IMIDAZOL-1-YL-ETHYLAMINE 2HCL1H-Imidazole-1-ethanamine (9CI, ACI)2-IMIDAZOL-1-YL-ETHYLAMINE DIHYDROCHLORIDE

1H-Imidazole-1-ethanamine, dihydrochloride2-(1-Imidazolyl)ethylamine Dihydrochlorideb-imidazolylethylamineN-(2-aminoethyl)-imidazole2-(imidazol-1-yl)ethylamineSCHEMBL311448SCHEMBL2385983SCHEMBL2884166

데이터베이스 식별자

CAS: 5739-10-6
PubChem CID: 430667
DTXSID: DTXSID70972881
EC Number: 815-875-1
Nikkaji: J2.960.241G

물성

구조 계산 물성

XLogP: -1
극성 표면적: 43.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 8
형식 전하: 0
복잡도: 64.7

물리화학적 성질

끓는 점: 283 ℃ · 283℃
밀도: 1.15 · 1.15
인화점: 125 ℃ · 125℃
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
산도 계수 (pKa): 7.51 · 7.51±0.10(Predicted)
InChI: InChI=1S/C5H9N3/c6-1-3-8-4-2-7-5-8/h2,4-5H,1,3,6H2
InChIKey: YCIRHAGYEUJTFH-UHFFFAOYSA-N
SMILES: C1N(CCN)C=CN=1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.