기본 정보
- 표준 SMILES
C1C2CC3CC1CC(C2)C3- InChIKey
ORILYTVJVMAKLC-UHFFFAOYSA-N- 분자식
- C10H16
- 평균 분자량
- 136.23 g/mol
- 단동위원소 질량
- 136.12520051
이름 및 식별자
- 우선 이름
- Adamantane
- IUPAC
- adamantane
- 현지명
- 아다만탄
- 영어명
- Adamantane
- 분자식
- C10H16
- 분자량
- 136.23
이름 및 동의어
ADAMANTANE281-23-2Tricyclo[3.3.1.13,7]decaneTricyclo[3.3.1.1(3,7)]decaneTricyclo(3.3.1.13,7)decanePJY633525UNSC-527913DTXSID5022017CHEBI:40519tricyclo(3.3.1.1(3,7))decaneRefChem:388771DTXCID302017
이름 더 보기
아다만탄트리사이클로[3.3.1.13.7]데칸AdamentanediadamantaneTRICYCLODECANEAdamantane,98%HOMOADAMANTANEAdamantane >[6]diadamantane
206-001-4Adamantantricyclo[3.3.1.1~3,7~]decaneMFCD00074719A 0696; NSC 527913tricyclo[3.3.1.13,7]decantricyclo[3.3.1.1]decaneAdamantane; Tricyclo[3.3.1.1(3),7]decane
데이터베이스 식별자
- CAS
281-23-2- PubChem CID
- 9238
- DTXSID
DTXSID5022017- ChEMBL
CHEMBL1230831- ChEBI
CHEBI:40519- UNII
- PJY633525U
- EC Number
- 206-001-4
- Nikkaji
- J45.672A
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 75
실험 및 물리화학적 성질
Physical DescriptionWhite crystalline powder; [Alfa Aesar MSDS]
Kovats Retention Index
1121；1117；1120；1120；1149；1160；1160；1149；1113；1116；1117；1118；1120；1116；1113；1117；1120；1125；1120；1128
1136.9；1116；1116；1116；1167；1135.3；1095.2；1095；1104；1114；1137.6；1095；1104；1114；1123；1123；1144
1400；1325；1325；1363；1320；1339；1363；1400；1363
물리화학적 성질
- 녹는점
- 209 · 209-212 °C (subl.) (lit.)
- 끓는 점
- 185.55 °C · 185.55°C (rough estimate)
- 밀도
- 1 · 1,07 g/cm3
- 굴절률
- 1.568 · 1.5680
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 0.00021 g/l · 0.00021g/l 약간 용해됨
- 물리적 상태
- 결정 또는 결정성 분말
- Specific Gravity
- 1.07 · 1.07
- 색상
- 흰색에서 베이지색
- 수용성
- 물에 불용성.
- Merck
- 14 · 14,149
- BRN
- 1901173 · 1901173
- Henry's Law Constant
- 8 · 8.0×10-4 mol/(m3Pa) at 25℃, Roon et al. (2005)
- 안정성
- 안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
- InChI
- 1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2/t7-,8+,9-,10+
- InChIKey
- ORILYTVJVMAKLC-UHFFFAOYSA-N
- SMILES
- C1[C@H]2C[C@H]3C[C@@H]1C[C@@H](C2)C3
- LogP
- 4.24 · 4.240
- NIST
- Adamantane(281-23-2)
- EPA
- 3.3 · Tricyclo[3.3.1.13,7]decane (281-23-2)
화학적 성질
slightly beige crystals
안전 및 규제
GHS 분류
GHS Classification
Warning
H319 (13%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H400 (94.4%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 54 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory Information
Chemical: Tricyclo[3.3.1.13,7]decane
Status: Active Update: 29-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20053
Tricyclo3.3.1.13,7decane: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA mild eye irritant; Causes abnormal renal function tests in acute inhalation studies of rats; [RTECS] May cause irritation; [Alfa Aesar MSDS]
Hazard Classes and CategoriesEye Irrit. 2 (13%)；Aquatic Acute 1 (94.4%)
규제 정보
Regulatory Information
Chemical: Tricyclo[3.3.1.13,7]decane
Status: Active Update: 29-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20053
Tricyclo3.3.1.13,7decane: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- YK0493000
- ridadr
- UN 3077 9 / PGIII
- HS 번호
- 29021990
- risk_code
- 36/37/38-50
- hazard_code
- Xi,N
- safety_code
- 24/25-36-26-61
- 위험 참고 사항
- Irritant
- 자연 발화 온도
- 287 °C
- Hazard Classifications
- Aquatic Chronic 4
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
UsesThe diamine compound: used as a curing agent for epoxy resins; [Merck Index]
General Manufacturing InformationTricyclo[3.3.1.13,7]decane: ACTIVE
응용 분야
용도Adamantane is mainly used for the synthesis of medicine to treat influenza, serve as NMDA receptor channel blockers. Also be used for preparation of advanced lubricants, photographic material, surface active agents, catalysts and other products.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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추가 설명
정의adamantane: A colourless crystallinehydrocarbon C10H16; m.p.269°C. It is found in certain petroleumfractions. The structure containsthree symmetrically fusedcyclohexane rings.
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