CAS 6711-48-4 N'-(3-(Dimethylamino)propyl)-N,N-dimethyl-1,3-propanediamine (HCID 81207)

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 6711-48-4
표준 SMILES: CN(C)CCCNCCCN(C)C
InChIKey: BXYVQNNEFZOBOZ-UHFFFAOYSA-N
분자식: C10H25N3
평균 분자량: 187.33 g/mol
단동위원소 질량: 187.2048478

개요

structure given in first source

이름 및 식별자

우선 이름: N'-(3-(Dimethylamino)propyl)-N,N-dimethyl-1,3-propanediamine
IUPAC: N-[3-(dimethylamino)propyl]-N',N'-dimethylpropane-1,3-diamine
현지명: N""-[3-(디메틸아미노)프로필]-N,N-디메틸프로판-1,3-디아민
영어명: 3,3'-IMINOBIS(N,N-DIMETHYLPROPYLAMINE)
분자식: C10H25N3
분자량: 187.33

이름 및 동의어

6711-48-43,3'-Iminobis(N,N-dimethylpropylamine)TetramethyldipropylenetriamineBis(3-dimethylaminopropyl)amineBis(3-dimethylamino-1-propyl)amine2,6,10-Triazaundecane, 2,10-dimethyl-N,N,N',N'-TetramethyldipropylenetriamineDipropylamine, 3,3'-bis(dimethylamino)-EINECS 229-761-9Dipropylenetriamine, N,N,N',N'-tetramethyl-N'-(3-(Dimethylamino)propyl)-N,N-dimethyl-1,3-propanediamineCW8R6R660G

이름 더 보기

3,3'-이미노비스(N,N-다이메틸프로필아민)N""-[3-(디메틸아미노)프로필]-N,N-디메틸프로판-1,3-디아민N'-[3-(디메틸아미노)프로필]-N,N-디메틸프로판-1,3-디아민1,1,9,9-테트라메틸-1,5,9-트라이아자노네인2,10-다이메틸-2,6,10-트라이아자운데케인3,3'-비스(다이메틸아미노)다이프로필아민3'-이미노비스(N,N-다이메틸프로필아민)N'-(3-(다이메틸아미노)프로필)-N,N-다이메틸-프로페인-1,3-다이아민N'-[3-(다이메틸아미노)프로필)]-N,N-다이메틸프로페인-1,3-다이아민N'-[3-(다이메틸아미노)프로필]-N,N-다이메틸-1,3-프로페인다이아민N3-[3-(다이메틸아미노)프로필]-N1,N1-다이메틸-1,3-프로페인다이아민비스[3-(다이메틸아미노)프로필]아민

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 18.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 8
무거운 원자 수: 13
형식 전하: 0
복잡도: 90.3

실험 및 물리화학적 성질

Physical DescriptionLiquid

Collision Cross Section142.7 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID7044974]

물리화학적 성질

녹는점: 78 °C · −78 °C(lit.)
끓는 점: 128 · 128-131 °C20 mm Hg(lit.)
밀도: 0.841 g/mL · 0.841 g/mL at 25 °C(lit.)
증기압: 30 Pa · 30Pa at 20℃
굴절률: 20 · n20/D 1.449(lit.)
인화점: 209 °F · 209 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 클로로포름, 메탄올에 용해됨
물리적 상태: 투명한 액체
산도 계수 (pKa): 10.4 · 10.40±0.19(Predicted)
색상: 무색 내지 거의 무색
수용성: 425 g/L · 425g/L at 20℃
InChI: 1S/C10H25N3/c1-12(2)9-5-7-11-8-6-10-13(3)4/h11H,5-10H2,1-4H3
InChIKey

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P262, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 286 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 4건

Chemical: 1,3-Propanediamine, N3-[3-(dimethylamino)propyl]-N1,N1-dimethyl-

1,3-Propanediamine, N3-[3-(dimethylamino)propyl]-N1,N1-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Propanediamine, N3-[3-(dimethylamino)propyl]-N1,N1-dimethyl- 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: 03-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13171

1,3-Propanediamine, N'-[3-(dimethylamino)propyl]-N,N-dimethyl-: 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.

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 1
tsca: TSCA listed
rtecs: JM1925000
ridadr: UN 2922 8/PG 3
HS 번호: 2921.29.0055
risk_code: 21/22-34
hazard_code: C
safety_code: 26-36/37/39-45

화학 및 산업

용도 및 제조

U.S. Production2023: 7,000,000 - <8,500,000 lb

Consumer UsesNot Known or Reasonably Ascertainable

Industry UsesCatalyst

General Manufacturing Information · 2건

Synthetic Rubber Manufacturing

1,3-Propanediamine, N3-[3-(dimethylamino)propyl]-N1,N1-dimethyl-: ACTIVE

응용 분야 · 1건

용도3,3′-Iminobis(N,N-dimethylpropylamine) may be used:in the synthesis of dimeric quaternary alkylammonium conjugates of sterolsas nitrogen containing tridentate lignand in the preparation of [3,3′-iminobis(N,N-dimethylpropylamine)](4′-methoxyflavonolato)zinc(II) perchlorate complexin the preparation of 2-[[[N,N-bis[3-(N,N-dimethylamino)propyl]amino]carbonyl]-1-methyl-4-nitropyrrole and 3-(9-anthracenyl)- N,N-bis[3-(N,N-dimethylamino)propyl]-5-methyl-4-isoxazole carboxamide