[시스(시스)]-4,4'-메틸렌비스(사이클로헥실아민)

4,4'-Diaminodicyclohexylmethane

HCID 15660CAS 1761-71-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NC1CCC(CC2CCC(N)CC2)CC1
InChIKey: DZIHTWJGPDVSGE-UHFFFAOYSA-N
분자식: C13H26N2
평균 분자량: 210.36 g/mol
단동위원소 질량: 210.20959883

개요

Yellowish white liquid or brown solid paste. (NTP, 1992)

이름 및 식별자

우선 이름: 4,4'-Diaminodicyclohexylmethane
IUPAC: 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine
현지명: 비스(P-아미노시클로헥실)메탄
영어명: 4,4'-Diaminodicyclohexyl methane
분자식: C13H26N2
분자량: 210.36

이름 및 동의어

1761-71-34,4'-Methylenedicyclohexanamine4,4'-Diaminodicyclohexylmethane4,4'-Methylenebis(cyclohexylamine)Bis(4-aminocyclohexyl)methane4,4'-Diaminodicyclohexyl methaneWandamin HMCyclohexanamine, 4,4'-methylenebis-Bis(p-aminocyclohexyl)methanePACM 20HLR 4219Cyclohexylamine, 4,4'-methylenebis-

이름 더 보기

비스(P-아미노사이클로헥실)메탄비스(P-아미노시클로헥실)메탄비스(P-아미노사이클로헥실)메탄(BIS(P-AMINOCYCLOHEXYL)METHANE)POLYLINK PACMPACM20DICYKANDIAMINODICYCLOHEXYLMETHANE4,4'-methylenebis(cyclohexan-1-amine)

p,p'-Diaminodicyclohexylmethane4,4'-MethylenedicyclohexylamineDTXSID0024921Methylenebis(4-aminocyclohexane)1,4-Bis(aminocyclohexyl)methane4,4'-MethylenedicyclohexaneamineDI(P-AMINOCYCLOHEXYL)METHANEHLR 4448

데이터베이스 식별자

CAS: 1761-71-3、6693-29-4、6693-30-7、6693-31-8
PubChem CID: 15660
DTXSID: DTXSID0024921
ChEMBL: CHEMBL1492978
UNII: AR21XLU05L、B16001JGEW、H8V09V2RM3
EC Number: 217-168-8、229-737-8、229-738-3、229-739-9
Nikkaji: J298.069J、J298.070C、J298.071A、J47.629C

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 52 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 157

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Amines, Cyclic

Density0.9608 at 77 °F (NTP, 1992) - Less dense than water; will float

SolubilityInsoluble (<1 mg/ml) (NTP, 1992)

Flash Point · 2건

greater than 200 °F (NTP, 1992)

Flash point > 200 °F

Boiling Point626 to 628 °F at 3 mmHg (NTP, 1992)

Melting Point140-143.6 °F (cis-cis) 147.2-149 °F (trans-trans) (NTP, 1992)

물리화학적 성질

녹는점: 60 · 60-65°C
끓는 점: 330 · 330-331°C
밀도: 0.95 g/mL · 0.95 g/mL at 25 °C(lit.)
증기압: 0.1 mm · <0.1 mm Hg ( 38 °C)
굴절률: 1.5032 · 1.5032 (estimate)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: powder to lump to clear liquid
산도 계수 (pKa): 10.87 · 10.87±0.70(Predicted)
색상: White or Colorless to Almost white or Almost colorless
냄새: Ammonia odor
수용성: 불용성(<0.1g/100mL)
BRN: 2079179 · 2079179
InChI: 1S/C13H26N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h10-13H,1-9,14-15H2
InChIKey: DZIHTWJGPDVSGE-UHFFFAOYSA-N
SMILES: NC1CCC(CC1)CC2CCC(N)CC2
LogP: 2.03 at · 2.03 at 25℃
NIST: 4 · Cyclohexanamine, 4,4'-methylenebis-(1761-71-3)
EPA: 4 · 4,4'-Methylenebis(cyclohexylamine) (1761-71-3)

화학적 성질

Beige solidified mass or fragments

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 2.3% (29 of 1269) of reports.

Danger

H302 (97.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P333+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1269 reports by companies from 42 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

유해성 정보

Regulatory Information · 4건

Chemical: Cyclohexanamine, 4,4'-methylenebis-

Cyclohexanamine, 4,4'-methylenebis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanamine, 4,4'-methylenebis- 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: 09-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/14320

Cyclohexanamine, 4,4'-methylenebis-: HSNO Approval: HSR003552 Approved with controls

Other Safety InformationEvaluation - Cyclohexanamine, 4,4'-methylenebis-

DOT LabelCorrosive

Fire HazardsThis chemical is probably combustible. (NTP, 1992)

Health HazardsACUTE/CHRONIC HAZARDS: This compound is corrosive. (NTP, 1992)

Hazards SummaryCorrosive to skin; [Quick CPC] Causes burns; Harmful if swallowed; [MSDSonline]

안전 및 보호

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

First Aid · 1건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: If you spill this chemical, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:

Personal Protective Equipment (PPE)MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves.

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

Toxicity DataLC50 (mice) = 400 mg/m3/4h

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: GX1530000
ridadr: UN 2928 6.1/PG 2
독성: LC50 inhalation in mouse: 400mg/m3/4H
HS 번호: 29213000
risk_code: 26-34-51/53-48/22-43-35-22
hazard_code: T+,N,C
safety_code: 26-28-36/37/39-45-61-50-14
포장분류: III
위험 등급: 8
기존화학 물질: KE-23815
F 고인화성물질: 10-34
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 2Skin Corr. 1BSkin Sens. 1STOT RE 2 Oral
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

용도 및 제조

U.S. Production2023: 25,000,000 - <40,000,000 lb

Consumer UsesNot Known or Reasonably Ascertainable

Industry UsesViscosity modifiers

General Manufacturing Information · 5건

Wholesale and Retail Trade

Cyclohexanamine, 4,4'-methylenebis-: ACTIVE

Cyclohexanamine, 4,4'-methylenebis-, (trans,trans)-: ACTIVE

Cyclohexanamine, 4,4'-methylenebis-, (cis,trans)-: ACTIVE

Cyclohexanamine, 4,4'-methylenebis-, (cis,cis)-: INACTIVE

응용 분야 · 3건

개요4,4'-Diaminodicyclohexyl methane is a sodium salt of a cyclic anhydride that is used as a specific treatment for removing dodecanedioic acid from fatty acids. The reaction solution is stable at pH 4-5 and has a viscosity of less than 1000 cps. It has good stability in the presence of amines and can be used in chromatographic science, including chromatography and gas-liquid chromatography. The UV absorption maxima for the acid complex are 195 nm and 240 nm.

용도4,4'-Diaminodicyclohexyl methane be used as organic intermediates and epoxy curing agents.

일반 설명Yellowish white liquid or brown solid paste.