2-(3-Amino-1H-pyrazol-1-yl)ethan-1-ol

HCID 21279853

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 84407-13-6
표준 SMILES: Nc1ccn(CCO)n1
InChIKey: QGJIESRUALRBPX-UHFFFAOYSA-N
분자식: C5H9N3O
평균 분자량: 127.14 g/mol
단동위원소 질량: 127.07456192

이름 및 식별자

우선 이름: 2-(3-Amino-1H-pyrazol-1-yl)ethan-1-ol
IUPAC: 2-(3-aminopyrazol-1-yl)ethanol
영어명: 2-(4-Amino-1H-pyrazol-1-yl)ethanol
분자식: C5H9N3O
분자량: 127.14

이름 및 동의어

84407-13-62-(3-amino-1H-pyrazol-1-yl)ethan-1-olDTXSID30611926RefChem:251367DTXCID30562681857-145-52-(3-Amino-1H-pyrazol-1-yl)ethanol2-(3-AMINOPYRAZOL-1-YL)ETHANOL2-(3-Amino-1-pyrazolyl)ethanolMFCD12149344SCHEMBL16628092-(3-amino-pyrazol-1-yl)-ethanol

이름 더 보기

2-(3-Amino-1H-pyrazol-1-yl)1H-Pyrazole-1-ethanol, 3-aMino-2-(4-Amino-1H-pyrazol-1-yl)ethanol2-(4-Amino-1H-pyrazol-1-yl)ethanol (Related Reference)

STL414734AKOS0051689672-(3-aminopyrazolyl)ethan-1-olCHEMBL4578084QGJIESRUALRBPX-UHFFFAOYSA-N3-amino-1-(2-hydroxyethyl)pyrazoleSBB046392CS-W001902

데이터베이스 식별자

CAS: 84407-13-6
PubChem CID: 21279853
DTXSID: DTXSID30611926
ChEMBL: CHEMBL4578084
EC Number: 857-145-5

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

물리화학적 성질

끓는 점: 337.9 · 337.9±22.0 °C(Predicted)
밀도: 1.35 · 1.35±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
산도 계수 (pKa): 14.42 · 14.42±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.