Tetraethylmethylenediamine

HCID 66020

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 102-53-4
표준 SMILES: CCN(CC)CN(CC)CC
InChIKey: UNEXJVCWJSHFNN-UHFFFAOYSA-N
분자식: C9H22N2
평균 분자량: 158.28 g/mol
단동위원소 질량: 158.17829871

이름 및 식별자

우선 이름: Tetraethylmethylenediamine
IUPAC: N,N,N',N'-tetraethylmethanediamine
영어명: N,N,N',N'-Tetraethylmethylenediamine
분자식: C9H22N2
분자량: 158.28

이름 및 동의어

102-53-4N,N,N',N'-TetraethylmethanediamineMethanediamine, N,N,N',N'-tetraethyl-Bis(diethylamino)methaneN,N,N',N'-TetraethylmethylenediamineTetraethylmethylenediamineN,N'-MethylenebisdiethylamineN,N,N',N'-Tetraethyldiaminomethane9DJ3133IMJEINECS 203-038-8NSC 27525NSC-27525

이름 더 보기

TetraethyldiaminomethaneMethylenebis(diethylamine)[(diethylamino)methyl]diethylamineN,N,N',N'-tetraethyl methyldiamine

DTXSID9059256N,N-METHYLENEBISDIETHYLAMINERefChem:897022DTXCID2032685203-038-8NSC27525MFCD00015115bis-diethylamino-methane

데이터베이스 식별자

CAS: 102-53-4
PubChem CID: 66020
DTXSID: DTXSID9059256
UNII: 9DJ3133IMJ
EC Number: 203-038-8
Nikkaji: J129.271D

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 6.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 6
무거운 원자 수: 11
형식 전하: 0
복잡도: 65

물리화학적 성질

녹는점: 37.5 °C · 37.5°C (estimate)
끓는 점: 166 · 166-169 °C(lit.)
밀도: 0.811 g/mL · 0.811 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.426(lit.)
인화점: 108 °F · 108 °F
물리적 상태: 액체
산도 계수 (pKa): 7.85 · 7.85±0.50(Predicted)
InChI: 1S/C9H22N2/c1-5-10(6-2)9-11(7-3)8-4/h5-9H2,1-4H3
InChIKey: UNEXJVCWJSHFNN-UHFFFAOYSA-N
SMILES: CCN(CC)CN(CC)CC
EPA: Methanediamine, N,N,N',N'-tetraethyl- (102-53-4)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 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.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Skin Corr. 1B (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 2734 8/PG 2
risk_code: 10-34
hazard_code: C
safety_code: 16-26-27-36/37/39-45
포장분류: III
위험 등급: 3
Hazard Classifications: Eye Dam. 1Flam. Liq. 3Skin Corr. 1B
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationMethanediamine, N,N,N',N'-tetraethyl-: ACTIVE

응용 분야

용도N,N,N′,N′-Tetraethylmethanediamine has been used to study the tertiary amine catalytic activities in the reaction of phenyl isocyanate with 1-butanol in toluene.