기본 정보
- CAS
13897-55-7- 표준 SMILES
CC1CCC(N)CC1N- InChIKey
QTKDDPSHNLZGRO-UHFFFAOYSA-N- 분자식
- C7H16N2
- 평균 분자량
- 128.22 g/mol
- 단동위원소 질량
- 128.13134851
이름 및 식별자
- 우선 이름
- 1,3-Cyclohexanediamine, 4-methyl-
- IUPAC
- 4-methylcyclohexane-1,3-diamine
- 현지명
- 4-메틸사이클로헥산-1,3-디아민
- 영어명
- 4-methylcyclohexane-1,3-diamine
- 분자식
- C7H16N2
- 분자량
- 128.21534
이름 및 동의어
13897-55-71,3-Cyclohexanediamine, 4-methyl-4-Methyl-1,3-cyclohexanediamine2,4-Diaminomethylcyclohexane2,4-Diamino-1-methylcyclohexaneEINECS 237-666-92,4-Cyclohexanediamine, 1-methyl-DTXSID40884725RefChem:72545DTXCID2010241521,3-Cyclohexanediamine, 4-methyl-(8CI,9CI)4-Methylcyclohexane-1,3-diamine
이름 더 보기
4-메틸사이클로헥산-1,3-디아민HTDAMethylcyclohexanediamine2,4(6)-diamino-1-methylcyclohexaneMethyl cyclohexadiamine4-methyl-3-cyclohexanediamine1-methyl-4-cyclohexanediamine1-Methyl-2,4-cyclohexanediamine
SCHEMBL185762SCHEMBL11846096SCHEMBL27519493SCHEMBL28278116QTKDDPSHNLZGRO-UHFFFAOYSA-NMFCD00036013AKOS006339871DS-016840
데이터베이스 식별자
- CAS
13897-55-7- PubChem CID
- 117174
- DTXSID
DTXSID40884725- EC Number
- 237-666-9
- Nikkaji
- J23.472I
물성
구조 계산 물성
- XLogP
- 0.1
- 극성 표면적
- 52 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 92.9
실험 및 물리화학적 성질
Physical DescriptionLiquid
물리화학적 성질
- 끓는 점
- 227.68 °C · 227.68°C (rough estimate)
- 밀도
- 0.9394 · 0.9394 (rough estimate)
- 굴절률
- 1.474 · 1.4740 (estimate)
- 산도 계수 (pKa)
- 10.56 · 10.56±0.70(Predicted)
- InChI
- InChI=1S/C7H16N2/c1-5-2-3-6(8)4-7(5)9/h5-7H,2-4,8-9H2,1H3
- InChIKey
- QTKDDPSHNLZGRO-UHFFFAOYSA-N
- SMILES
- C1(N)CCC(C)C(N)C1
- EPA
- 1 · 1,3-Cyclohexanediamine, 4-methyl- (13897-55-7)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 141 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 1,3-Cyclohexanediamine, 4-methyl-
1,3-Cyclohexanediamine, 4-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Cyclohexanediamine, 4-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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
1,3-Cyclohexanediamine, 4-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationAssessment (Certificate) - 1,3-Cyclohexanediamine, 4-methyl-: Health and Environment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
U.S. Production2023: 50,000 - <250,000 lb
Industry UsesHardener
General Manufacturing Information
Plastics Product Manufacturing
1,3-Cyclohexanediamine, 4-methyl-: ACTIVE
응용 분야
용도4-Methylcyclohexane-1,3-diamine (HTDA) is an important organic compound primarily used in the production of high-end epoxy resin curing agents, which impart excellent mechanical properties, corrosion resistance and heat resistance to epoxy resins. It can also be used in the synthesis of polyamide resins. In the pharmaceutical and chemical industries, it serves as a key intermediate in the synthesis of various drugs, including antibacterial and antihistamine agents, and can also be used to construct bioactive molecules to support biomedical research. In the field of surfactants, it can be used to prepare cationic surfactants with emulsifying and bactericidal properties, as well as amphoteric surfactants that are biocompatible and low-irritant. It also has widespread applications in industries such as detergents and cosmetics.
공급사95 곳
江西益众化工有限公司15307925109 15350027073 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
山东泰诚生物科技有限公司18769832557 18769832557 · [email protected]
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