3-아미노-5-메틸-4H-1,2,4-트리아졸

3-Amino-5-methyl-4H-1,2,4-triazole

HCID 234610CAS 4923-01-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1nc(N)n[nH]1
InChIKey: FJRZOOICEHBAED-UHFFFAOYSA-N
분자식: C3H6N4
평균 분자량: 98.11 g/mol
단동위원소 질량: 98.05924619

이름 및 식별자

우선 이름: 3-Amino-5-methyl-4H-1,2,4-triazole
IUPAC: 5-methyl-1H-1,2,4-triazol-3-amine
현지명: 3-아미노-5-메틸-4H-1,2,4-트리아졸
영어명: 3-AMINO-5-METHYL-4H-1,2,4-TRIAZOLE
분자식: C3H6N4
분자량: 98.11

이름 및 동의어

3-Amino-5-methyl-4H-1,2,4-triazoleRefChem:497419641-003-25-methyl-4H-1,2,4-triazol-3-amine4923-01-75-methyl-1H-1,2,4-triazol-3-amine3-methyl-1H-1,2,4-triazol-5-amine53741-81-45-methyl-4h-1,2,4-triazol-3-ylamine3-Amino-5-methyl-1,2,4-triazole26092-56-81H-1,2,4-Triazol-3-amine, 5-methyl-

이름 더 보기

3-아미노-5-메틸-4H-1,2,4-트리아졸2-methyl-5-amino-1,3,4-triazole1H-1,2,4-Triazol-5-amine,3-methyl-5-Methyl-3-amino-4H-1,2,4-triazole5-Methyl-1H-[1,2,4]triazol-3-ylamin5-Methyl-1H-[1,2,4]triazol-3-ylaMine5-METHYL-4H-[1,2,4]TRIAZOL-3-YLAMINE

3-Amino-5-methyl-1H-1,2,4-triazoleMFCD00205267MFCD00498236UBF98UW595s-Triazole, 3-amino-5-methyl-DTXSID602840013-Amino-5-methyl-1H-s-triazole5-methyl-1,2,4-triazol-3-amine

데이터베이스 식별자

CAS: 4923-01-7
PubChem CID: 234610
DTXSID: DTXSID60284001
UNII: UBF98UW595
EC Number: 641-003-2
Nikkaji: J80.925J

물성

구조 계산 물성

XLogP: 0
극성 표면적: 67.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 64

물리화학적 성질

녹는점: 142 · 142-144
끓는 점: 345.5 · 345.5±25.0 °C(Predicted)
밀도: 1.348 · 1.348±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 고체
산도 계수 (pKa): 11.56 · 11.56±0.40(Predicted)
색상: 옅은 노랑
InChI: InChI=1S/C3H6N4/c1-2-5-3(4)7-6-2/h1H3,(H3,4,5,6,7)
InChIKey: FJRZOOICEHBAED-UHFFFAOYSA-N
SMILES: N1C(N)=NC(C)=N1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302+H312+H332 (20%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, 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 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.