2-((1,1-Dimethylethyl)imino)-N,N-diethylhexahydro-1,3-dimethyl-2lambda5-1,3,2-diazaphosphorin-2-amine

HCID 3513851

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 98015-45-3
표준 SMILES: CCN(CC)P1(=NC(C)(C)C)N(C)CCCN1C
InChIKey: VSCBATMPTLKTOV-UHFFFAOYSA-N
분자식: C13H31N4P
평균 분자량: 274.39 g/mol
단동위원소 질량: 274.22863362

개요

structure in first source

이름 및 식별자

우선 이름: 2-((1,1-Dimethylethyl)imino)-N,N-diethylhexahydro-1,3-dimethyl-2lambda5-1,3,2-diazaphosphorin-2-amine
IUPAC: 2-tert-butylimino-N,N-diethyl-1,3-dimethyl-1,3,2λ5-diazaphosphinan-2-amine
영어명: 2-tert-Butylimino-2-diethylamino-1,3-dimethyl-perhydro-1,3,2-diazaphosphorine
분자식: C13H31N4P
분자량: 274.39

이름 및 동의어

98015-45-3BEMP phosphazeneBEMP2-tert-Butylimino-2-diethylamino-1,3-dimethylperhydro-1,3,2-diazaphosphorineDF15J146QIDTXSID50243369BEMP cpdRefChem:561230DTXCID001658602-((1,1-Dimethylethyl)imino)-N,N-diethylhexahydro-1,3-dimethyl-2lambda5-1,3,2-diazaphosphorin-2-amine2-tert-Butylimino-2-diethylamino-1,3-dimethyl-perhydro-1,3,2-diazaphosphorineMFCD00043143

이름 더 보기

>=97% (GC)Hexanal ≥imino-2-diethyLL-Norleucinol ≥DL-Nornicotine ≥2-Pentyne-1-ol ≥amino-1,3-dimethyL3-Methoxyphenol ≥3-Cyanocoumarin &ge

2-tert-butylimino-N,N-diethyl-1,3-dimethyl-1,3,2lambda5-diazaphosphinan-2-amineUNII-DF15J146QISCHEMBL185023C13H31N4PVSCBATMPTLKTOV-UHFFFAOYSA-NAKOS0158946952-(tert-butylimino)-N,N-diethyl-1,3-dimethyl-1,3,2lambda5-diazaphosphinan-2-amineFT159609

데이터베이스 식별자

CAS: 98015-45-3
PubChem CID: 3513851
DTXSID: DTXSID50243369
UNII: DF15J146QI
EC Number: 619-312-9
Nikkaji: J308.026I

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 22.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 18
형식 전하: 0
복잡도: 303

물리화학적 성질

끓는 점: 74 °C0.03 · 74 °C0.03 mm Hg(lit.)
밀도: 0.948 g/mL · 0.948 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.477(lit.)
인화점: 127 °F · 127 °F
저장 조건: Room Temperature
용해도: 아세토니트릴 (약간 용해됨), 물 (약간 용해됨)
물리적 상태: 액체
색상: 무색의
BRN: 5534901 · 5534901
InChI: 1S/C13H31N4P/c1-8-17(9-2)18(14-13(3,4)5)15(6)11-10-12-16(18)7/h8-12H2,1-7H3
InChIKey: VSCBATMPTLKTOV-UHFFFAOYSA-N
SMILES: CCN(CC)P1(=NC(C)(C)C)N(C)CCCN1C

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (100%)

안전 데이터

wgk: 3
ridadr: UN 2920 8/PG 2
risk_code: 34-67-65-62-51/53-48/20-11
hazard_code: C,N,F
safety_code: 26-36/37/39-45-62-61-16
포장분류: III
위험 등급: 3.2
F 고인화성물질: 10-34
Hazard Classifications: Aquatic Chronic 2Asp. Tox. 1Eye Dam. 1Flam. Liq. 2Repr. 2Skin Corr. 1BSTOT RE 1 InhalationSTOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 2건

용도Phosphazene Bases: a Family of Extremely Strong, Non-Ionic, Non-Charged Nitrogen–Bases

일반 설명2-tert-Butylimino-2-diethylamino-1,3-dimethylperhydro-1,3,2-diazaphosphorine (BEMP) is a phosphazene base. BEMP participates in the mild base catalyzed nucleophilic ring opening of N-sulfonyl aziridines. BEMP supported on polystyrene (PS-BEMP) has been reported as an efficient catalyst for the ring-opening of epoxides with phenols. BEMP is about 2000 times more basic and also much more sterically hindered than DBU (l,8-diazabicyclo[5.4.0]undecene).