1,12-도데칸디아민
1,12-Dodecanediamine
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기본 정보
- CAS
2783-17-7- 표준 SMILES
NCCCCCCCCCCCCN- InChIKey
QFTYSVGGYOXFRQ-UHFFFAOYSA-N- 분자식
- C12H28N2
- 평균 분자량
- 200.36 g/mol
- 단동위원소 질량
- 200.2252489
개요
Dodecane-1,12-diamine is an alkane-alpha,-diamine that is dodecane substituted by amino groups at positions 1 and 12.
이름 및 식별자
- 우선 이름
- 1,12-Dodecanediamine
- IUPAC
- dodecane-1,12-diamine
- 현지명
- 1,12-도데칸디아민
- 영어명
- 1,12-Dodecanediamine
- 분자식
- C12H28N2
- 분자량
- 200.36
이름 및 동의어
1,12-Diaminododecane2783-17-71,12-DODECANEDIAMINEDodecamethylenediamineDodecyldiamine1,12-Dodecamethylenediamine1,12'-Dodecylenediamine1,12'-DodecamethylenediamineJ3LM80W9NTNSC-55050NSC-59861DTXSID2044636
이름 더 보기
1,12-도데칸디아민DODECANEDIAMINEN12N,N-12NDiaminododecane1,12-DODECANEDIAMERARECHEM AL BW 0116Decanethylenediamine
RefChem:410376DTXCID0024636220-489-6Dodecane-1,12-diamine1,12-DiamindodecaneN12NNSC 55050NSC 59861
데이터베이스 식별자
- CAS
2783-17-7- PubChem CID
- 17727
- DTXSID
DTXSID2044636- ChEMBL
CHEMBL69590- ChEBI
CHEBI:49385- UNII
- J3LM80W9NT
- EC Number
- 220-489-6
- Nikkaji
- J42.964C
물성
구조 계산 물성보충 중
- XLogP
- 3
- 극성 표면적
- 52 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 82.3
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Amines, Aliphatic
SpringerMaterials PropertiesBoiling point
Physical DescriptionAqueous solution (90% water); [Aldrich MSDS]
물리화학적 성질
- 녹는점
- 67 · 67-69 °C(lit.)
- 끓는 점
- 304 °C · 304°C
- 밀도
- 0.8417 · 0.8417 (rough estimate)
- 증기압
- 0.04 Pa · 0.04Pa at 25℃
- 굴절률
- 1.4383 · 1.4383 (estimate)
- 인화점
- 311 °F · 311 °F
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 용해도
- 에탄올에 용해됩니다.
- 물리적 상태
- powder to lump
- 산도 계수 (pKa)
- 10.97 · 10.97±0.10(Predicted)
- 색상
- 흰색에서 거의 흰색
- 수용성
- 520 mg/L · 520mg/L at 19.5℃
- BRN
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 7.1% (4 of 56) of reports.
Danger
H302 (92.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P332+P317, P333+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 56 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
REACH registered substance: Dodecamethylenediamine (EC: 220-489-6)
1,12-Dodecanediamine: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A mild eye irritant; Causes hypermotility, weight loss, and respiratory depression in inhalation studies of rats; Causes inflammation of trachea and bronchi in 2-week intermittent inhalation studies of rats; [RTECS] Causes burns; May cause skin sensitization; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion; [Aldrich MSDS] See 1,8-Octamethylenediamine and 1,6-Diaminohexane.
Hazard Classes and CategoriesAcute Tox. 4 (92.9%)
독성 정보
Adverse EffectsDermatotoxin - Skin burns.
Toxicity DataLC50 (rat) = 680 mg/m3/4hr
안전 데이터
화학 및 산업
용도 및 제조
General Manufacturing Information1,12-Dodecanediamine: ACTIVE
응용 분야
용도Feedstock for polymer synthesis. Source of twelve carbon chain for medicinal drugs.1
상·하류 제품 정보
하류 제품
추가 설명
정의ChEBI: An alkane-alpha,omega-diamine that is dodecane substituted by amino groups at positions 1 and 12.
정의Diamines containing more than six carbon atoms can be obtained readily by hydrogenating the corresponding dinitriles over a Raney nickel catalyst in a batch procedure under pressure at up to 125 ℃. A five- to tenfold excess of liquid ammonia is used, with or without methanol solvent. Higher diamines can be prepared continuously, as described for the production of hexamethylenediamine.
관련 반응
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