4-아미노-1,3,5-트리메틸피라졸

1,3,5-trimethyl-1H-pyrazol-4-amine

HCID 161603CAS 28466-21-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1nn(C)c(C)c1N
InChIKey: SSDGMKHZMNTWLS-UHFFFAOYSA-N
분자식: C6H11N3
평균 분자량: 125.17 g/mol
단동위원소 질량: 125.09529735

개요

1,3,5-Trimethyl-1H-pyrazol-4-amine is a member of pyrazoles.

이름 및 식별자

우선 이름: 1,3,5-trimethyl-1H-pyrazol-4-amine
IUPAC: 1,3,5-trimethylpyrazol-4-amine
현지명: 4-아미노-1,3,5-트리메틸피라졸
영어명: 4-AMINO-1,3,5-TRIMETHYLPYRAZOLE
분자식: C6H11N3
분자량: 125.17

이름 및 동의어

1,3,5-Trimethyl-1H-pyrazol-4-amineRefChem:412649824-143-028466-21-94-Amino-1,3,5-trimethylpyrazole1,3,5-trimethylpyrazol-4-amine4-Amino-1,3,5-trimethyl-1H-pyrazole1H-Pyrazol-4-amine, 1,3,5-trimethyl-Pyrazole, 4-amino-1,3,5-trimethyl-trimethyl-1H-pyrazol-4-amineMFCD000528831,3,5-trimethyl-1H-pyrazol-4-ylamine

이름 더 보기

4-아미노-1,3,5-트리메틸피라졸AKOS B000505AKOS PAO-02301,3,5-?-1H--4-BUTTPARK 29\06-78TIMTEC-BB SBB006986ART-CHEM-BB B0005051,3,5-Trimethyl-4-pyrazolamine

1,3,5-trimethylpyrazole-4-ylamineBRN 01107391,3,5-trimethyl-1H-pyrazole-4-amineorb3029658SCHEMBL1559796SCHEMBL6968444SCHEMBL28125174MFCD00052

데이터베이스 식별자

CAS: 28466-21-9
PubChem CID: 161603
DTXSID: DTXSID70182680
ChEBI: CHEBI:195137
EC Number: 824-143-0
Nikkaji: J1.075.004K

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: 9
형식 전하: 0
복잡도: 104

물리화학적 성질

녹는점: 96 °C · 96 °C
끓는 점: 236 ℃ · 236℃
밀도: 1.13 · 1.13
인화점: 97 ℃ · 97℃
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태: 고체
산도 계수 (pKa): 4.75 · 4.75±0.10(Predicted)
색상: 갈색
BRN: 110739 · 110739
InChI: InChI=1S/C6H11N3/c1-4-6(7)5(2)9(3)8-4/h7H2,1-3H3
InChIKey: SSDGMKHZMNTWLS-UHFFFAOYSA-N
SMILES: N1(C)C(C)=C(N)C(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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

rtecs: UQ6125100
독성: mouse,LD50,subcutaneous,> 500mg/kg (500mg/kg),Farmaco, Edizione Scientifica. Vol. 25, Pg. 592, 1970.
HS 번호: 2933199090
hazard_code: Xi