Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
N-메틸사이클로헥실아민
3-메틸-3,3'-이미노비스(프로필아)아민 · 3-메틸-3,3'-이미노비스(프로필아민) · N-메틸사이클로헥실아민 · N,N-비스(3-아미노프로필)메틸아민 · N1-(3-AMinopropyl)-N1-Methylpropane-1,3-diaMine · 3,3'-diamino-N-methyldipropylamine · MIBPA · 3,3'-Methyliminobi
식별자 및 물리적 특성
| CAS No. | 105-83-9 |
|---|---|
| 분자식 | C7H19N3 |
| 평균 분자량 | 145.25 g/mol |
| 단동위원소 질량 | 145.15789761 g/mol |
| SMILES | CN(CCCN)CCCN |
| InChIKey | KMBPCQSCMCEPMU-UHFFFAOYSA-N |
| PubChem CID | 7777 |
| ChEMBL | CHEMBL283720 |
| EC No. | 203-336-8 |
| DTXSID | DTXSID1044510 |
| 현지명 | N-메틸사이클로헥실아민 |
화학 및 물리적 성질
| XLogP | -0.9 |
|---|---|
| 극성 표면적 | 55.3 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 6 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 57.9 |
| Physical Description | Liquid |
| 녹는점 | -30--28°C |
| 끓는 점 | 110-112 °C/6 mmHg (lit.) |
| 밀도 | 0.901 g/mL at 25 °C (lit.) |
| 증기압 | 6 mm Hg ( 110 °C) |
| 굴절률 | n20/D 1.4725(lit.) |
| 인화점 | 217 °F |
| 저장 조건 | Keep in dark place,Inert atmosphere,Room temperature |
| 용해도 | Completely miscible in water |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | pK1:6.32(+3)pK2:9.19(+2)pK3:10.33(+1) (30°C) |
| 색상 | 무색 내지 거의 무색 |
| 용해도 | 1000g/L at 20℃ |
| InChI | 1S/C7H19N3/c1-10(6-2-4-8)7-3-5-9/h2-9H2,1H3 |
| InChIKey | KMBPCQSCMCEPMU-UHFFFAOYSA-N |
| SMILES | CN(CCCN)CCCN |
| LogP(분배 계수) | -0.94 at 25℃ |
| NIST | 1,3-Propanediamine, N-(3-aminopropyl)-N-methyl-(105-83-9) |
| EPA | 1,3-Propanediamine, N-(3-aminopropyl)-N-methyl- (105-83-9) |
안전 및 규제
| GHS 분류 | DangerH302: Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P262, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement) |
|---|---|
| 규제 정보 | Chemical: 1,3-Propanediamine, N-(3-aminopropyl)-N-methyl-1,3-Propanediamine, N1-(3-aminopropyl)-N1-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Propanediamine, N1-(3-aminopropyl)-N1-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)Status: Active Update: 14-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/119251,3-Propanediamine, N-(3-aminopropyl)-N-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin corrosion - category 1BAcute Tox. 3 * |
| 수질 위해 등급(WGK) | 1 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | JL9625000 |
| 운송 번호(UN) | UN 2810 6.1/PG 2 |
| 독성 | LD50 orl-rat: 1540 mg/kg UCDS** 2/28/67 |
| 관세 코드 | 2921.29.0055 |
| 위험 문구(R) | 22-23/24-34 |
| 위험 표시 | T |
| 안전 문구(S) | 26-36/37/39-45 |
| 포장분류 | II |
| 위험 등급 | 6.1(a)Acute Tox. 1 InhalationAcute Tox. 3 DermalAcute Tox. 4 OralEye Dam. 1Skin Corr. 1B |
| 기존화학 물질 | 2004-3-2898 |
| 저장 분류 | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
용도
용도
3,3′-Diamino-N-methyldipropylamine was used in the synthesis of:new bischromone derivatives, potential anticancer drugspolyamine derivatives containing dimeric quinolone, cinnoline and phthalimide moieties3-(2,4-dinitroanilino)-3′-amino-N-methyldipropylamine