3-아미노-1,2,4-트리아진

3-Amino-1,2,4-triazine

HCID 70715CAS 1120-99-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1nccnn1
InChIKey: MJIWQHRXSLOUJN-UHFFFAOYSA-N
분자식: C3H4N4
평균 분자량: 96.09 g/mol
단동위원소 질량: 96.04359615

이름 및 식별자

우선 이름: 3-Amino-1,2,4-triazine
IUPAC: 1,2,4-triazin-3-amine
현지명: 3-아미노-1,2,4-트리아진
영어명: 3-Amino-1,2,4-triazine
분자식: C3H4N4
분자량: 96.09

이름 및 동의어

1,2,4-Triazin-3-amine3-Amino-1,2,4-triazine1120-99-6DTXSID90149816RefChem:4966613-ATINEDTXCID5072307214-324-7as-Triazine, 3-amino-3-Amino-as-triazine[1,2,4]triazin-3-ylamineMFCD00006459

이름 더 보기

3-아미노-1,2,4-트리아진1,2,4-Triazine-3-amine3-amino-as-triazinTIMTEC-BB SBB004379Amino-1,2,4-triazine3-amine-1,2,4-Triazin

1,2,4-Triazin-3-ylamine1,2,4-triazine-3-ylamine1,2,4-Triazine, 3-amino-EINECS 214-324-7AI3-61002184433-61-23-Amino-1,2,4-triazine; 3-Amino-as-triazine; NSC 203233; [1,2,4]Triazin-3-ylamine3-amino -1,2,4-triazine

데이터베이스 식별자

CAS: 1120-99-6
PubChem CID: 70715
DTXSID: DTXSID90149816
EC Number: 214-324-7
Nikkaji: J90.931I

물성

구조 계산 물성

XLogP: -1.2
극성 표면적: 64.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 54

물리화학적 성질

녹는점: 174 · 174-177 °C(lit.)
끓는 점: 169.59 °C · 169.59°C (rough estimate)
밀도: 1.217 · 1.2170 (rough estimate)
굴절률: 1.738 · 1.7380 (estimate)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: DMSO(초음파 처리), 메탄올(약간 용해됨, 초음파 처리)
산도 계수 (pKa): 3.67 · 3.67±0.63(Predicted)
물리적 상태: 결정성 분말
색상: 갈색
InChI: InChI=1S/C3H4N4/c4-3-5-1-2-6-7-3/h1-2H,(H2,4,5,7)
InChIKey: MJIWQHRXSLOUJN-UHFFFAOYSA-N
SMILES: N1C=CN=C(N)N=1

화학적 성질

BROWN CRYSTALLINE POWDER

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 42 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.