1,5,5-트리메틸하이단토인

1,5,5-Trimethylimidazolidine-2,4-dione

HCID 81295

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 6851-81-6
표준 SMILES: CN1C(=O)NC(=O)C1(C)C
InChIKey: ZNYIPTYJBRGSSL-UHFFFAOYSA-N
분자식: C6H10N2O2
평균 분자량: 142.16 g/mol
단동위원소 질량: 142.07422756

이름 및 식별자

우선 이름: 1,5,5-Trimethylimidazolidine-2,4-dione
IUPAC: 1,5,5-trimethylimidazolidine-2,4-dione
현지명: 1,5,5-트리메틸하이단토인
영어명: 1,5,5-TRIMETHYLHYDANTOIN
분자식: C6H10N2O2
분자량: 142.16

이름 및 동의어

6851-81-61,5,5-Trimethylimidazolidine-2,4-dioneDTXSID40218642EINECS 229-945-9RefChem:417069DTXCID90141133229-945-91,5,5-TrimethylhydantoinMFCD000404391,5,5 trimethylhydantoin3,4,4-Trimethyl-2,5-dioxoimidazolidinetrimethylhydantoin

이름 더 보기

1,5,5-트리메틸하이단토인1,5,5-트리메틸히단토인1,5,5-Trimethylhydantoine1-Methyl-5,5-dimethylhydantoin1,5,5-TRIMETHYLHYDANTOIN, 99+%1,5,5-Trimethyl-2,4-imidazolidinedione1,5,5-Trimethylhydantoin, 10 mM in DMSO2,4-Imidazolidinedione, 1,5,5-trimethyl-

HMS1720F02CS-W013322HY-W012606T1739D925166HQ1,5,5-trimethyl-1,3-diazolidine-2,4-dioneHydantoin, 1,5,5-trimethyl-

데이터베이스 식별자

CAS: 6851-81-6
PubChem CID: 81295
DTXSID: DTXSID40218642
EC Number: 229-945-9
Nikkaji: J101.269J

물성

구조 계산 물성

XLogP: -0.3
극성 표면적: 49.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 198

물리화학적 성질

녹는점: 161 · 161-164 °C (lit.)
끓는 점: 259.72 °C · 259.72°C (rough estimate)
밀도: 1.2298 · 1.2298 (rough estimate)
굴절률: 1.501 · 1.5010 (estimate)
저장 조건: Inert atmosphere,Room Temperature
용해도: soluble in Dimethylformamide
물리적 상태: powder to crystal
산도 계수 (pKa): 8.99 · 8.99±0.10(Predicted)
색상: 흰색에서 거의 흰색
InChI: InChI=1S/C6H10N2O2/c1-6(2)4(9)7-5(10)8(6)3/h1-3H3,(H,7,9,10)
InChIKey: ZNYIPTYJBRGSSL-UHFFFAOYSA-N
SMILES: C1(=O)N(C)C(C)(C)C(=O)N1

화학적 성질

white to off-white crystalline powder

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 74 reports by companies from 7 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

wgk: 3
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도1,5,5-Trimethylhydantoin (1,5,5-Trimethyl-imidazolidine-2,4-dione) may be used to synthesize 3-bromomethyl-1,5,5-trimethylimidazolid-ine-2,4-dione.

일반 설명1,5,5-Trimethylhydantoin (TMH) is a 1,5,5-trisubstituted hydantoin. Its mass spectrum has been recorded and analyzed. The density of TMH is 1.1318g/ml at 25°C.