테트라뷰틸유레아

Tetrabutylurea

HCID 20691CAS 4559-86-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCCCN(CCCC)C(=O)N(CCCC)CCCC
InChIKey: SNDGLCYYBKJSOT-UHFFFAOYSA-N
분자식: C17H36N2O
평균 분자량: 284.5 g/mol
단동위원소 질량: 284.28276377

이름 및 식별자

우선 이름: Tetrabutylurea
IUPAC: 1,1,3,3-tetrabutylurea
현지명: 테트라뷰틸유레아
영어명: Tetrabutylurea
분자식: C17H36N2O
분자량: 284.48

이름 및 동의어

Tetrabutylurea1,1,3,3-Tetrabutylurea4559-86-8UREA, TETRABUTYL-Urea, 1,1,3,3-tetrabutyl-DTXSID7043902Urea, N,N,N',N'-tetrabutyl-NSC-3892736CY99V47DTXCID5023902RefChem:409619224-929-8

이름 더 보기

테트라뷰틸유레아테트라부틸우레아tetrabutyl-ureTertabutylureaTETRA-N-BUTYLUREATetrabutylharnstoff1,1,3,3-tetrabutyl-ureTetra Butyl Ureas ( TBU )

N,N,N',N'-TetrabutylureaTetrabutyl-ureaMFCD000429011,1,3,3-Tetrabutylurea; NSC 3892N,N,N',N'-Tetra-n-butylureaNSC 3892EINECS 224-929-8tetrabutyl urea

데이터베이스 식별자

CAS: 4559-86-8
PubChem CID: 20691
DTXSID: DTXSID7043902
ChEMBL: CHEMBL3184697
UNII: 736CY99V47
EC Number: 224-929-8
Nikkaji: J143.384I

물성

구조 계산 물성

XLogP: 4.7
극성 표면적: 23.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 12
무거운 원자 수: 20
형식 전하: 0
복잡도: 193

실험 및 물리화학적 성질

SpringerMaterials PropertiesDielectric constant

Physical DescriptionLiquid; CBI

Collision Cross Section194.0 Å² [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID7043902]

물리화학적 성질

녹는점: -60 °C · -60 °C
끓는 점: 163 °C · 163 °C / 12mmHg
밀도: 0.88 · 0.88
증기압: 0.019 Pa · 0.019Pa at 20℃
굴절률: 1.452 · 1.4520-1.4560
인화점: 93 °C · 93 °C
저장 조건: Store at room temperature
물리적 상태: 투명한 액체
산도 계수 (pKa): -0.61 · -0.61±0.70(Predicted)
색상: Colorless to Light yellow to Light orange
수용성: 4.3 mg/L · 4.3mg/L at 20℃
InChI: InChI=1S/C17H36N2O/c1-5-9-13-18(14-10-6-2)17(20)19(15-11-7-3)16-12-8-4/h5-16H2,1-4H3
InChIKey: SNDGLCYYBKJSOT-UHFFFAOYSA-N
SMILES: N(CCCC)(CCCC)C(N(CCCC)CCCC)=O
LogP: 6.2 at · 6.2 at 25℃
NIST: Urea, tetrabutyl-(4559-86-8)
EPA: Urea, tetrabutyl- (4559-86-8)

화학적 성질

Liquid. Insoluble in water. Combustible.

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H400 (94.3%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 123 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Urea, N,N,N',N'-tetrabutyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Urea, N,N,N',N'-tetrabutyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 20-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/12233

Urea, tetrabutyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAquatic Acute 1 (94.3%)

안전 데이터

tsca: TSCA listed
rtecs: YU2080000
독성: rat,LCLo,inhalation,700mg/m3/4H (700mg/m3),Food and Chemical Toxicology. Vol. 25, Pg. 173, 1987.
HS 번호: 2924.19.8000
safety_code: 22-24/25
기존화학 물질: 97-3-116