기본 정보
- 표준 SMILES
CC1CCC(N)CC1- InChIKey
KSMVBYPXNKCPAJ-UHFFFAOYSA-N- 분자식
- C7H15N
- 평균 분자량
- 113.2 g/mol
- 단동위원소 질량
- 113.12044948
개요
P-aminocyclohexylmethane appears as a colorless viscous oily liquid with almost no odor. Contact with the skin, eyes and mucous membranes causes severe chemical burns. Toxic by skin absorption. Toxic ammonia and nitrogen oxides may be released upon exposure to fire.
이름 및 식별자
- 우선 이름
- 4-Methylcyclohexylamine
- IUPAC
- 4-methylcyclohexan-1-amine
- 현지명
- 트랜스-4-메틸사이클로헥실아민
- 영어명
- trans-4-Methylcyclohexyl amine
- 분자식
- C7H15N
- 분자량
- 113.2
이름 및 동의어
4-Methylcyclohexylamine6321-23-94-MethylcyclohexanamineCyclohexanamine, 4-methyl-p-MethylcyclohexylamineCyclohexylamine, 4-methyl-DTXSID2064232NSC-32387RefChem:998664-MCHA9WR926L6NRDTXCID6043759
이름 더 보기
트랜스-4-메틸사이클로헥실아민Trans-Glimepiride Impurity 24Trans-4-Methylcylohexylaminerans-4-Methylcyclohexylaminetrans-4-Methylcyclohexylamin(1r,4r)-4-MethylcyclohexanaMineTrans-4-Methyl Cylclohexyl AmineTRANS-4-METHYL-1-CYCLOHEXYLAMINE
228-673-8Trans-4-Methylcyclohexylamine2523-55-92523-56-0cis-4-Methylcyclohexylaminetrans-4-Methylcyclohexanamine4-methylcyclohexan-1-amineCis-4-Methylcyclohexanamine
데이터베이스 식별자
- CAS
2523-55-9、2523-56-0、6321-23-9- PubChem CID
- 80604
- DTXSID
DTXSID2064232- ChEMBL
CHEMBL3780789、CHEMBL510738- ChEBI
CHEBI:183280- UNII
- 6HY7JNM5XM、HZE5FWV7EQ
- EC Number
- 228-673-8、835-419-5
- Nikkaji
- J149.994G、J263.661A、J263.667K
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 26 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 62.8
실험 및 물리화학적 성질
Physical Description
P-aminocyclohexylmethane appears as a colorless viscous oily liquid with almost no odor. Contact with the skin, eyes and mucous membranes causes severe chemical burns. Toxic by skin absorption. Toxic ammonia and nitrogen oxides may be released upon exposure to fire.
물리화학적 성질
- 녹는점
- -8.5 °C · -8.5°C (estimate)
- 끓는 점
- 151 · 151-154°C
- 밀도
- 0.85 · 0.85
- 굴절률
- 1.45 to · 1.4500 to 1.4530
- 인화점
- 26 °C · 26°C
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 투명한 액체
- 산도 계수 (pKa)
- 10.58 · 10.58±0.70(Predicted)
- 색상
- 무색~연황색
- InChI
- InChI=1S/C7H15N/c1-6-2-4-7(8)5-3-6/h6-7H,2-5,8H2,1H3/t6-,7-
- InChIKey
- KSMVBYPXNKCPAJ-LJGSYFOKSA-N
- SMILES
- [C@@H]1(N)CC[C@@H](C)CC1
안전 및 규제
GHS 분류
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
유해성 정보
DOT LabelCorrosive
Fire HazardsExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Health HazardsExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile
P-AMINOCYCLOHEXYLMETHANE is incompatible with acids and oxidizing agents. Neutralizes acids exothermically to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Generates flammable gaseous hydrogen in combination with strong reducing agents, such as hydrides.
Air and Water ReactionsSlowly decomposes in air to yield ammonia.
Hazard Classes and Categories
Flam. Liq. 3 (100%)
Flam. Liq. 3 (100%)
안전 및 보호
Fire FightingExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
First AidExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Nonfire Spill ResponseExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
안전 데이터
- ridadr
- 2733
- HS 번호
- 2921309990
- risk_code
- 10-35-52-36-22
- hazard_code
- C,Xn
- safety_code
- 16-28-26
- 포장분류
- II
- 위험 등급
- 8/3
화학 및 산업
용도 및 제조
General Manufacturing InformationCyclohexanamine, 4-methyl-: ACTIVE
상·하류 제품 정보
하류 제품
공급사50 곳
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