디클로로에틸메틸아민
N-Methyl dicyclohexylamine
기본 정보
- CAS
7560-83-0- 표준 SMILES
CN(C1CCCCC1)C1CCCCC1- InChIKey
GSCCALZHGUWNJW-UHFFFAOYSA-N- 분자식
- C13H25N
- 평균 분자량
- 195.34 g/mol
- 단동위원소 질량
- 195.1986998
개요
N-Cyclohexyl-N-methylcyclohexanamine is an amine.
이름 및 식별자
- 우선 이름
- N-Methyl dicyclohexylamine
- IUPAC
- N-cyclohexyl-N-methylcyclohexanamine
- 현지명
- 디클로로에틸메틸아민
- 영어명
- N,N-Dicyclohexylmethylamine
- 분자식
- C13H25N
- 분자량
- 195.34
이름 및 동의어
N-Cyclohexyl-N-methylcyclohexanamine7560-83-0N,N-DicyclohexylmethylamineN-MethyldicyclohexylamineCyclohexanamine, N-cyclohexyl-N-methyl-Dicyclohexylamine, N-methyl-methyldicyclohexylamineHSDB 4370N-METHYL DICYCLOHEXYLAMINEN-Cyclohexyl-N-methylcyclohexylamineDTXSID6044727EINECS 231-453-4
이름 더 보기
N-메틸다이사이클로헥실아민디클로로에틸메틸아민N-메틸 다이사이클로헥실아민DicyclohexylmethylamineN-cyclohexyl-N-methyl-CyclohexanamineN,N-Dicyclohexyl-N-methylamineTIMTEC-BB SBB008043N,N-Cyclohexylmethylaminen-methyl-dicyclohexylaminN-methylbicyclohexylamine
RI95G6J8FFNSC 166513BRN 2074991NSC-166513DTXCID4024727METHYLDICYCLOHEXYLAMINE, N-4-12-00-00023 (Beilstein Handbook Reference)N-METHYL DICYCLOHEXYLAMINE [HSDB]
데이터베이스 식별자
- CAS
7560-83-0- PubChem CID
- 24210
- DTXSID
DTXSID6044727- ChEMBL
CHEMBL3186353- ChEBI
CHEBI:183431- UNII
- RI95G6J8FF
- EC Number
- 231-453-4
- Nikkaji
- J87.276H
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 3.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 137
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Amines, Aliphatic
LogP3.71
Vapor Pressure0.01 [mmHg]
Physical Description
Liquid
Clear slightly yellow liquid or white solid; [MSDSonline]
물리화학적 성질
- 녹는점
- 193 · 193-194 °C
- 끓는 점
- 265 °C · 265 °C(lit.)
- 밀도
- 0.912 g/mL · 0.912 g/mL at 25 °C(lit.)
- 증기압
- 7.52 Pa · 7.52Pa at 25℃
- 굴절률
- 20 · n20/D 1.49(lit.)
- 인화점
- 231 °F · 231 °F
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 투명한 액체
- 산도 계수 (pKa)
- 11.03 · 11.03±0.20(Predicted)
- 색상
- Colorless to Light orange to Yellow
- 수용성
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (74.9%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P262, P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 179 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Cyclohexanamine, N-cyclohexyl-N-methyl-
Cyclohexanamine, N-cyclohexyl-N-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanamine, N-cyclohexyl-N-methyl- 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: 11-03-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/23809
Cyclohexanamine, N-cyclohexyl-N-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes somnolence, convulsions, and acute pulmonary edema in lethal-dose feeding studies of rats; [RTECS] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may result in chemical pneumonitis; [Aldrich MSDS]
Hazard Classes and CategoriesAcute Tox. 3 (74.9%)
독성 정보
Adverse EffectsDermatotoxin - Skin burns.
EPA Provisional Peer-Reviewed Toxicity Values
화학 및 산업
용도 및 제조
UsesUsed as a urethane foam catalyst; [Ullmann]
U.S. Production2023: 250,000 - <550,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesChemical reaction regulator
General Manufacturing Information
Wholesale and Retail Trade
Cyclohexanamine, N-cyclohexyl-N-methyl-: ACTIVE
응용 분야
용도N,N-Dicyclohexylmethylamine has been employed as:catalyst during O-phenylation of tertiary alcohol with organobismuth(V) compoundsbase during Pd-catalyzed 5-endo-trig cyclization of 1-(o-bromophenyl)-2-methylprop-2-en-1-ol
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