1-메틸-1H-피라졸-3-아민

1-Methyl-3-aminopyrazole

HCID 137254CAS 1904-31-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cn1ccc(N)n1
InChIKey: MOGQNVSKBCVIPW-UHFFFAOYSA-N
분자식: C4H7N3
평균 분자량: 97.12 g/mol
단동위원소 질량: 97.06399722

이름 및 식별자

우선 이름: 1-Methyl-3-aminopyrazole
IUPAC: 1-methylpyrazol-3-amine
현지명: 1-메틸-1H-피라졸-3-아민
영어명: 1-Methyl-1H-pyrazol-3-amine
분자식: C4H7N3
분자량: 97.12

이름 및 동의어

1-methyl-1H-pyrazol-3-amine1904-31-01-Methyl-3-aminopyrazoleDTXSID30172522RefChem:434203DTXCID8095013639-326-93-Amino-1-methylpyrazole1-methylpyrazol-3-amine3-amino-1-methyl-1h-pyrazole1H-PYRAZOL-3-AMINE, 1-METHYL-1-Methyl-1H-pyrazol-3-ylamine

이름 더 보기

1-메틸-1H-피라졸-3-아민AKOS B014443BUTTPARK 83\09-99ART-CHEM-BB B014443N-methyl-3-aminopyrazole

MFCD004663401-methylpyrazole-3-ylamine3-amino-1-methyl pyrazole3-Amino-1-methyl-pyrazole3-amino-1-methylpyrazol3-amino-1 methylpyrazoleSCHEMBL10762SCHEMBL308140

데이터베이스 식별자

CAS: 1904-31-0
PubChem CID: 137254
DTXSID: DTXSID30172522
ChEMBL: CHEMBL3219111
EC Number: 639-326-9
Nikkaji: J271.170B

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

실험 및 물리화학적 성질

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

물리화학적 성질

끓는 점: 93 °C · 93 °C
밀도: 1.12 g/ml · 1.12g/ml
굴절률: 1.542 · 1.5420-1.5460
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태: 투명한 액체
산도 계수 (pKa): 4.04 · 4.04±0.10(Predicted)
색상: Light orange to Yellow to Green
수용성: 물에 약간 용해됩니다.
InChI: InChI=1S/C4H7N3/c1-7-3-2-4(5)6-7/h2-3H,1H3,(H2,5,6)
InChIKey: MOGQNVSKBCVIPW-UHFFFAOYSA-N
SMILES: N1(C)C=CC(N)=N1
NIST: 1 · 1-methyl-3-aminopyrazole(1904-31-0)

화학적 성질

Colorless to light yellow liqui

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (70%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 10 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.