N-Methyl dicyclohexylamine (HCID 24210)

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 Å²
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 · 2건

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: 740 mg/L · 740mg/L at 25℃
BRN: 2074991 · 2074991
InChI: 1S/C13H25N/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h12-13H,2-11H2,1H3
InChIKey: GSCCALZHGUWNJW-UHFFFAOYSA-N
SMILES: CN(C1CCCCC1)C2CCCCC2
LogP: 3.71 at · 3.71 at 25℃
NIST: Cyclohexanamine, N-cyclohexyl-N-methyl-(7560-83-0)
EPA: Cyclohexanamine, N-cyclohexyl-N-methyl- (7560-83-0)

안전 및 규제

GHS 분류

GHS Classification · 4건

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 · 4건

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 · 1건

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 · 3건

n-Methyl dicyclohexylamine

PDF Document

2011

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: HY4190000
ridadr: UN 2735 8/PG 2
HS 번호: 29213000
risk_code: 22-34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: III
위험 등급: 8
F 고인화성물질: 10-34
Hazard Classifications: Acute Tox. 4 OralSkin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials
유해 물질 데이터: 7560-83-0(Hazardous Substances Data)

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 · 2건

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