5-아미노-1-(2-히드록시에틸)피라졸

2-(5-amino-1H-pyrazol-1-yl)ethan-1-ol

HCID 320281CAS 73616-27-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1ccnn1CCO
InChIKey: IHQRJCVJAUKIEP-UHFFFAOYSA-N
분자식: C5H9N3O
평균 분자량: 127.14 g/mol
단동위원소 질량: 127.07456191

이름 및 식별자

우선 이름: 2-(5-amino-1H-pyrazol-1-yl)ethan-1-ol
IUPAC: 2-(5-aminopyrazol-1-yl)ethanol
현지명: 5-아미노-1-(2-히드록시에틸)피라졸
영어명: 5-Amino-1-(2-hydroxyethyl)pyrazole
분자식: C5H9N3O
분자량: 127.14

이름 및 동의어

2-(5-amino-1H-pyrazol-1-yl)ethan-1-olRefChem:458601805-746-85-Amino-1-(2-hydroxyethyl)pyrazole73616-27-02-(5-aminopyrazol-1-yl)ethanol2-(5-amino-1H-pyrazol-1-yl)ethanolMFCD080638091H-pyrazole-1-ethanol, 5-amino-NSC2672195-Amino-1-(2-hydroxy Ethyl) PyrazoleSCHEMBL2599298

이름 더 보기

5-아미노-1-(2-히드록시에틸)피라졸5-Amino-1-(2-hydroxy3-Amino-2-pyrazoleethanol5-AMINO-1H-PYRAZOLE-1-ETHANOL3-Amino-2-pyrazoleethanol,96%5-Amino-1-hydroxyethylpyrazole5-amino-1-(2-hydroethyl)pyrazole5-Amino-1-(2-hydroxyethyl)pyrazol

SCHEMBL6645996DTXSID40313186IHQRJCVJAUKIEP-UHFFFAOYSA-N1-(2-hydroxyethyl)-5-aminopyrazoleAC-048AKOS009457891CS-W001159DS-0695

데이터베이스 식별자

CAS: 73616-27-0
PubChem CID: 320281
DTXSID: DTXSID40313186
EC Number: 805-746-8
Nikkaji: J604.854D

물성

구조 계산 물성

XLogP: -0.9
극성 표면적: 64.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 9
형식 전하: 0
복잡도: 88.3

물리화학적 성질

녹는점: 107 to · 107.0 to 109.0 °C
끓는 점: 140 °C/0.04mmHg · 140°C/0.04mmHg(lit.)
밀도: 1.35 · 1.35±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
물리적 상태: 고체
산도 계수 (pKa): 14.42 · 14.42±0.10(Predicted)
색상: White to Light yellow to Light orange

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

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