3-아미노-5,6-디메틸-1,2,4-트리아진

3-Amino-5,6-dimethyl-1,2,4-triazine

HCID 87163CAS 17584-12-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1nnc(N)nc1C
InChIKey: UIKGLXJNZXSPGV-UHFFFAOYSA-N
분자식: C5H8N4
평균 분자량: 124.14 g/mol
단동위원소 질량: 124.07489626

이름 및 식별자

우선 이름: 3-Amino-5,6-dimethyl-1,2,4-triazine
IUPAC: 5,6-dimethyl-1,2,4-triazin-3-amine
현지명: 3-아미노-5,6-디메틸-1,2,4-트리아진
영어명: 3-AMINO-5,6-DIMETHYL-1,2,4-TRIAZINE
분자식: C5H8N4
분자량: 124.14

이름 및 동의어

3-Amino-5,6-dimethyl-1,2,4-triazine17584-12-21,2,4-Triazin-3-amine, 5,6-dimethyl-3-Amino-5,6-dimethyl-as-triazineNSC 55646as-Triazine, 3-amino-5,6-dimethyl-5,6-Dimethyl-1,2,4-triazin-3-ylamineEINECS 241-552-4Y36ASR52NUBRN 0118790AI3-60314NSC-55646

이름 더 보기

3-아미노-5,6-디메틸-1,2,4-트리아진OTAVA-BB BB7020204768LABOTEST-BB LT000807283-amino-5,6-dimethyl-as-triazin5,6-Dimethyl-3-amino-1,2,4-triazine5,6-dimethyl-1,2,4-triazine-3-amine

DTXSID10222695-26-08-00042 (Beilstein Handbook Reference)RefChem:497325DTXCID002269241-552-45,6-dimethyl-1,2,4-triazin-3-aminedimethyl-1,2,4-triazin-3-amineMFCD00006460

데이터베이스 식별자

CAS: 17584-12-2
PubChem CID: 87163
DTXSID: DTXSID1022269
ChEMBL: CHEMBL1320279
UNII: Y36ASR52NU
EC Number: 241-552-4
Nikkaji: J207.958E

물성

구조 계산 물성

XLogP: -0.4
극성 표면적: 64.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 95

물리화학적 성질

녹는점: 210 · 210-212 °C(lit.)
끓는 점: 220.93 °C · 220.93°C (rough estimate)
밀도: 1.1954 · 1.1954 (rough estimate)
굴절률: 1.738 · 1.7380 (estimate)
저장 조건: 2 · 2-8°C, protect from light
산도 계수 (pKa): 4.67 · 4.67±0.63(Predicted)
물리적 상태: powder
BRN: 118790 · 118790
InChI: InChI=1S/C5H8N4/c1-3-4(2)8-9-5(6)7-3/h1-2H3,(H2,6,7,9)
InChIKey: UIKGLXJNZXSPGV-UHFFFAOYSA-N
SMILES: N1C(C)=C(C)N=C(N)N=1
EPA: 3 · 3-Amino-5,6-dimethyl-1,2,4-triazine (17584-12-2)

화학적 성질

PINK TO YELLOW-BEIGE CRYSTALLINE POWDER

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (87%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (87%)

안전 데이터

wgk: 3
rtecs: XY3177100
HS 번호: 29336990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도3-Amino-5,6-dimethyl-1,2,4-triazine was used in intramolecular cyclization reaction of various 1,2-bis(amidinohydrazone)s.

일반 설명3-Amino-5,6-dimethyl-1,2,4-triazine reacts with silver trifluoro-methane-sulfonate to yield tris(3-amino-5,6-dimethyl-1,2,4-triazine-κN)silver(I) trifluromethane-sulfonate-3-amino-5,6-dimethyl-1,2,4-triazine. It reacts with an excess of benzoyl chloride in the presence of triethylamine in refluxing chloroform to give 3-dibenzoylamino-5,6-dimethyl-1,2,4-triazine.