1-메틸-1H-피라졸-5-일아민

2-Methyl-2H-pyrazol-3-ylamine

HCID 136927CAS 1192-21-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cn1nccc1N
InChIKey: JESRNIJXVIFVOV-UHFFFAOYSA-N
분자식: C4H7N3
평균 분자량: 97.12 g/mol
단동위원소 질량: 97.06399724

이름 및 식별자

우선 이름: 2-Methyl-2H-pyrazol-3-ylamine
IUPAC: 2-methylpyrazol-3-amine
현지명: 1-메틸-1H-피라졸-5-일아민
영어명: 1-Methyl-1H-pyrazol-5-ylamine
분자식: C4H7N3
분자량: 97.12

이름 및 동의어

2-Methyl-2H-pyrazol-3-ylamineRefChem:475262688-112-11192-21-81-methyl-1H-pyrazol-5-amine1-methyl-1h-pyrazol-5-ylamine5-Amino-1-methylpyrazole1-Methyl-5-aminopyrazole2-methylpyrazol-3-amine1H-Pyrazol-5-amine, 1-methyl-5-amino-1-methyl-1h-pyrazoleMFCD00068156

이름 더 보기

1-메틸-1H-피라졸-5-일아민-5-amineNSC 76510AKOS B024266AKOS PAO-0256BUTTPARK 18\09-58ART-CHEM-BB B024266

1-methylpyrazole-5-ylamineNSC765101-Methylpyrazol-5-amine3-amino-2-methylpyrazole1-methyl-5-amino-pyrazole2-methyl pyrazole-3-amine5-amino-1-methyl-pyrazolemethyl-1H-pyrazol-5-amine

데이터베이스 식별자

CAS: 1192-21-8
PubChem CID: 136927
DTXSID: DTXSID80152334
EC Number: 688-112-1
Nikkaji: J271.172I

물성

구조 계산 물성

XLogP: -0.1
극성 표면적: 43.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 64

물리화학적 성질

녹는점: 73 °C · 73 °C
끓는 점: 95 · 95-96°C (0.5 mmHg)
밀도: 1.22 · 1.22±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
용해도: 클로로포름(약간 용해됨), DMSO(약간 용해됨), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 4.16 · 4.16±0.10(Predicted)
색상: 진한 빨간색에서 주황색, 갈색까지
InChI: InChI=1S/C4H7N3/c1-7-4(5)2-3-6-7/h2-3H,5H2,1H3
InChIKey: JESRNIJXVIFVOV-UHFFFAOYSA-N
SMILES: N1(C)C(N)=CC=N1

화학적 성질

white to light yellow crystal powde

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (84.4%): Toxic if swallowed [Danger Acute toxicity, oral]；H312+H332 (84.4%): Harmful in contact with skin or if inhaled [Warning Acute toxicity, dermal; acute toxicity, inhalation]；H312 (93.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (93.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (95.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (84.4%)；Acute Tox. 4 (93.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (93.3%)；STOT SE 3 (95.6%)