1-메틸-1H-피라졸-4-일라민

1-methyl-1H-pyrazol-4-amine

HCID 4770990

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 69843-13-6
표준 SMILES: Cn1cc(N)cn1
InChIKey: LBGSWBJURUFGLR-UHFFFAOYSA-N
분자식: C4H7N3
평균 분자량: 97.12 g/mol
단동위원소 질량: 97.06399722

이름 및 식별자

우선 이름: 1-methyl-1H-pyrazol-4-amine
IUPAC: 1-methylpyrazol-4-amine
현지명: 1-메틸-1H-피라졸-4-일라민
영어명: 1-METHYL-1H-PYRAZOL-4-YLAMINE
분자식: C4H7N3
분자량: 97.12

이름 및 동의어

1-methyl-1H-pyrazol-4-amine69843-13-6RefChem:433875674-953-14-AMINO-1-METHYLPYRAZOLE1-Methyl-1H-pyrazol-4-ylamine1-methylpyrazol-4-amine1H-Pyrazol-4-amine, 1-methyl-MFCD056671354-AMINO-1-METHYL-1H-PYRAZOLE1-methylpyrazole-4-ylamine1H-pyrazol-4-amine, 1-methyl-, hydrochloride

이름 더 보기

1-메틸-1H-피라졸-4-일라민1-methyl-1H-pyrazol-4-amine hydrochlorideAKOS B022860AKOS PAO-0224TIMTEC-BB SBB009607ART-CHEM-BB B022860ASINEX-REAG BAS 135295661-Methyl-4-amino-pyrazole

1-Methyl-1H-pyrazole-4-ylamine4-Amino-1-methyl-pyrazoleSCHEMBL1747751-methyl-1H-pyrazole-4-amineSCHEMBL1274039SCHEMBL6971915DTXSID809038234-Amino-1-methylpyrazole, 95%

데이터베이스 식별자

CAS: 69843-13-6
PubChem CID: 4770990
DTXSID: DTXSID80903823
EC Number: 674-953-1
Nikkaji: J271.171K

물성

구조 계산 물성

XLogP: -0.4
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: 47 · 47-50℃
밀도: 1.141 g/mL · 1.141 g/mL at 25 °C
굴절률: 20 · n20/D1.556
인화점: 110 °C · >110 °C
저장 조건: -20 °C · -20°C
산도 계수 (pKa): 3.7 · 3.70±0.10(Predicted)
물리적 상태: 액체
색상: 옅은 빨간색
끓는 점: 45 · 45-80°C/760 mmHg
InChI: InChI=1S/C4H7N3/c1-7-3-4(5)2-6-7/h2-3H,5H2,1H3
InChIKey: HEFHQCFTJGKPMD-UHFFFAOYSA-N
SMILES: N1(C)C=C(N)C=N1

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 45 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.