2-(1H-1,2,3-Triazol-1-yl)ethanamine

HCID 22561972

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 4320-94-9
표준 SMILES: NCCn1ccnn1
InChIKey: CHEYEJGXQSHSFE-UHFFFAOYSA-N
분자식: C4H8N4
평균 분자량: 112.13 g/mol
단동위원소 질량: 112.07489627

이름 및 식별자

우선 이름: 2-(1H-1,2,3-Triazol-1-yl)ethanamine
IUPAC: 2-(triazol-1-yl)ethanamine
영어명: 2-(1H-1,2,3-TRIAZOL-1-YL)ETHANAMINE
분자식: C4H8N4
분자량: 112.13

이름 및 동의어

2-(1H-1,2,3-TRIAZOL-1-YL)ETHANAMINERefChem:451321802-051-14320-94-92-(triazol-1-yl)ethanamine2-(1H-1,2,3-TRIAZOL-1-YL)ETHAN-1-AMINE1H-1,2,3-TRIAZOLE-1-ETHANAMINEMFCD067390722-[1,2,3]TRIAZOL-1-YL-ETHYLAMINE1,2,3-Triazole-1-ethanamine2-(1,2,3-TRIAZOL-1-YL)ETHANAMINESCHEMBL594330

이름 더 보기

2-(1,2,4-triazol-1-yl)ethanamine2-(1H-1,2,3-TRIAZOL-1-YL)ETHAMINE[2-(1H-[1,2,3]Triazol-1-yl)ethyl]amine1H-1,2,3-Triazole-1-ethanamine (9CI, ACI)

SCHEMBL6223317DTXSID00626481CHEYEJGXQSHSFE-UHFFFAOYSA-N2-[1,2,3]Triazol-1-ylethylamine2-[1,2,3]triazol-1-yl ethylamineAKOS006295124AB285281-(2-Aminoethyl)-1H-1,2,3-triazole

데이터베이스 식별자

CAS: 4320-94-9、4320-98-3
PubChem CID: 22561972
DTXSID: DTXSID00626481
EC Number: 802-051-1

물성

구조 계산 물성

XLogP: -1.3
극성 표면적: 56.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 8
형식 전하: 0
복잡도: 65

물리화학적 성질

끓는 점: 241 ℃ · 241℃
밀도: 1.31 · 1.31
인화점: 100 ℃ · 100℃
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 7.38 · 7.38±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.