N-메틸사이클로헥실아민
N,N-bis(3-aminopropyl)methylamine
기본 정보
- CAS
105-83-9- 표준 SMILES
CN(CCCN)CCCN- InChIKey
KMBPCQSCMCEPMU-UHFFFAOYSA-N- 분자식
- C7H19N3
- 평균 분자량
- 145.25 g/mol
- 단동위원소 질량
- 145.15789761
개요
a ligand for affinity chromatography
이름 및 식별자
- 우선 이름
- N,N-bis(3-aminopropyl)methylamine
- IUPAC
- N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine
- 현지명
- N-메틸사이클로헥실아민
- 영어명
- N,N-Bis(3-aminopropyl)methylamine
- 분자식
- C7H19N3
- 분자량
- 145.25
이름 및 동의어
N,N-Bis(3-aminopropyl)methylamine105-83-93,3'-Diamino-N-methyldipropylamineBis(3-aminopropyl)methylamineMethyliminobispropylamine5-MethyldipropylenetriamineN-Methyliminobis propylamineMethylbis(3-aminopropyl)amine1,3-Propanediamine, N-(3-aminopropyl)-N-methyl-3,3'-MethyliminobispropylamineN-Methyl-N,N-bis(3-aminopropyl)aminePropylamine, 3,3'-(methylimino)bis-
이름 더 보기
3-메틸-3,3'-이미노비스(프로필아)아민3-메틸-3,3'-이미노비스(프로필아민)N-메틸사이클로헥실아민N,N-비스(3-아미노프로필)메틸아민N1-(3-AMinopropyl)-N1-Methylpropane-1,3-diaMineMIBPA3,3'-MethyliminobiN1-(3-Aminopropyl)3,3'-Diamino-N-methyLN,N-Bis(3-aminopropyl)meMerhyliminobispropylamineN-MethyldipropylenetriamineMETHYLIMINO BIS PROPYLAMINE
NSC 8173N,N-Bis(gamma-aminopropyl)methylamineDi(gamma-aminopropyl)methylamineMethylamine, N,N-bis(3-aminopropyl)-DIPROPYLAMINE, 3,3'-DIAMINO-N-METHYL-Bis(gamma-aminopropyl)methylamineDi(.gamma.-aminopropyl)methylamineBis(.gamma.-aminopropyl)methylamine
데이터베이스 식별자
- CAS
105-83-9、11071-12-8- PubChem CID
- 7777
- DTXSID
DTXSID1044510- ChEMBL
CHEMBL283720- UNII
- 62ZM34D74O
- EC Number
- 203-336-8、234-292-8
- Nikkaji
- J1.184C
물성
구조 계산 물성
- XLogP
- -0.9
- 극성 표면적
- 55.3 Ų
- 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
실험 및 물리화학적 성질
Physical DescriptionLiquid
물리화학적 성질
- 녹는점
- -30 · -30--28°C
- 끓는 점
- 110 · 110-112 °C/6 mmHg (lit.)
- 밀도
- 0.901 g/mL · 0.901 g/mL at 25 °C (lit.)
- 증기압
- 6 mm · 6 mm Hg ( 110 °C)
- 굴절률
- 20 · n20/D 1.4725(lit.)
- 인화점
- 217 °F · 217 °F
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 용해도
- Completely miscible in water
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 1 · pK1:6.32(+3);pK2:9.19(+2);pK3:10.33(+1) (30°C)
- 색상
- 무색 내지 거의 무색
- 수용성
- 1000 g/L · 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
- -0.94 at · -0.94 at 25℃
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302: 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)
Danger
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)
유해성 정보
Regulatory Information
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/11925
1,3-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 1B
Acute Tox. 3 *
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- JL9625000
- ridadr
- UN 2810 6.1/PG 2
- 독성
- LD50 orl-rat: 1540 mg/kg UCDS** 2/28/67
화학 및 산업
용도 및 제조
U.S. Production2023: <75,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1,3-Propanediamine, N1-(3-aminopropyl)-N1-methyl-: ACTIVE
응용 분야
용도3,3′-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
관련 반응
21건
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