기본 정보
- 표준 SMILES
CN(C)CCCNCCCN- InChIKey
OMKZWUPRGQMQJC-UHFFFAOYSA-N- 분자식
- C8H21N3
- 평균 분자량
- 159.27 g/mol
- 단동위원소 질량
- 159.17354767
개요
structure given in first source
이름 및 식별자
- 우선 이름
- Dimethyldipropylenetriamine
- IUPAC
- N'-[3-(dimethylamino)propyl]propane-1,3-diamine
- 현지명
- N'-(3-아미노프로필)-N,N-다이메틸-1,3-프로판디아민
- 영어명
- N N'-DIMETHYLDIPROPYLENETRIAMINE (ATOFI&
- 분자식
- C8H21N3
- 분자량
- 159.27
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
10563-29-8- PubChem CID
- 82728
- DTXSID
DTXSID2033445- ChEMBL
CHEMBL1462995- UNII
- B15K0N6194
- EC Number
- 234-148-4
- Nikkaji
- J226.992I
물성
구조 계산 물성
- XLogP
- -0.4
- 극성 표면적
- 41.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 73.7
물리화학적 성질
- 끓는 점
- 220 °C · 220 °C(lit.)
- 밀도
- 0.883 g/mL · 0.883 g/mL at 25 °C(lit.)
- 증기압
- 3 Pa · 3Pa at 20℃
- 굴절률
- 20 · n20/D 1.4630(lit.)
- 인화점
- 220 °F · 220 °F
- 산도 계수 (pKa)
- 10.32 · 10.32±0.19(Predicted)
- 수용성
- 1000 g/L · 1000g/L at 25℃
- InChI
- 1S/C8H21N3/c1-11(2)8-4-7-10-6-3-5-9/h10H,3-9H2,1-2H3
- InChIKey
- OMKZWUPRGQMQJC-UHFFFAOYSA-N
- SMILES
- CN(C)CCCNCCCN
- LogP
- -0.56 at · -0.56 at 25℃
- EPA
- 1 · 1,3-Propanediamine, N'-(3-aminopropyl)-N,N-dimethyl- (10563-29-8)
안전 및 규제
GHS 분류
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 349 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 1,3-Propanediamine, N'-(3-aminopropyl)-N,N-dimethyl-
REACH registered substance: N'-(3-aminopropyl)-N,N-dimethylpropane-1,3-diamine (EC: 234-148-4)
N'-(3-aminopropyl)-N,N-dimethyl-1,3-Propanediamine: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- TX7000000
- ridadr
- UN 2735 8/PG 2
- 독성
- LD50 orl-unr: 1432 mg/kg GTPZAB 28(11),50,84
- risk_code
- 21/22-34
- hazard_code
- C
- safety_code
- 23-26-36/37/39-45
- 포장분류
- III
- 위험 등급
- 8
- 기존화학 물질
- KE-01573
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 OralAquatic Chronic 2Skin Corr. 1ASkin Sens. 1
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
화학 및 산업
용도 및 제조
응용 분야
용도N,N-Dimethyldipropylenetriamine (DP) may be used to:Prepare poly(ethylene oxide)-b-poly(3-caprolactone-g-DP) [PEO-b-P(CL-g-DP)], a biodegradable amphiphilic polycationic copolymer.Develop a second generation aminoglycoside 6′-N-acetyltransferase (AAC(6′) inhibitor.Prepare a hydrophilic gemcitabine conjugated cationic copolymer, which can be employed in the treatment pancreatic cancer.
일반 설명N,N-Dimethyldipropylenetriamine is an aliphatic acyclic amine that is commonly used to develop polymeric system for gene delivery.
공급사50 곳
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