基本情報
- CAS
3855-32-1- 標準SMILES
CN(C)CCCN(C)CCCN(C)C- InChIKey
SKCNNQDRNPQEFU-UHFFFAOYSA-N- 分子式
- C11H27N3
- 平均分子量
- 201.35 g/mol
- 単同位体質量
- 201.22049787
名称と識別子
- 優先名称
- 2,6,10-Trimethyl-2,6,10-triazaundecane
- IUPAC
- N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine
- 現地名
- 2,6,10-トリメチル-2,6,10-トリアザウンデカン
- 英語名
- 2,6,10-TRIMETHYL-2,6,10-TRIAZAUNDECANE
- 分子式
- C11H27N3
- 分子量
- 201.35
名称と別名
2,6,10-Trimethyl-2,6,10-triazaundecaneDTXSID1044564R7P2U5FNE41,3-Propanediamine, N-[3-(dimethylamino)propyl]-N,N',N'-trimethyl-EINECS 223-362-3NSC 123346NSC-123346Dipropylamine, 3,3'-bis(dimethylamino)-N-methyl-N-(3-(Dimethylamino)propyl)-N,N',N'-trimethylpropane-1,3-diamineDTXCID9024564n-methyl-n,n-bis(3-dimethylaminopropyl)amineEC 223-362-3
名称をさらに表示
2,6,10-トリメチル-2,6,10-トリアザウンデカンN,N,N',N'-テトラメチル-4-メチル-4-アザヘプタン-1,7-ジアミンN-メチル-N,N-ビス(3-ジメチルアミノプロピル)アミン3,3'-(メチルイミノ)ビス[N,N-ジメチル-1-プロパンアミン]ポリキャット77N-[3-(ジメチルアミノ)プロピル]-N,N',N'-トリメチル-1,3-プロパンジアミンN，N，N’，N’，N”ペンタメチルジプロピレントリアミンN-メチル-N,N-ビス[3-(ジメチルアミノ)プロピル]アミンN-メチルビス［3-（ジメチルアミノ）プロピル］アミンPolycat 77Polycat-77FENTACAT 50PentamethyldipropyltriaminePentamethyl propylene triaminePentramethyldipropylenetriaminedimethyl-di(propan-2-yl)ammoniumPentamethyl-Dipropylene-TriaminePMDETAPentaMethyldipropylenetriaMine
1,3-Propanediamine, N-(3-(dimethylamino)propyl)-N,N',N'-trimethyl-1,3-Propanediamine, N1-(3-(dimethylamino)propyl)-N1,N3,N3-trimethyl-PENTAMETHYLIMINOBISPROPYLAMINEN,N,N'-Trimethyl-N'-(3-(dimethylamino)propyl)-1,3-propanediamine3,3'-bis(dimethylamino)-n-methyldipropylaminen,n,n',n'',n''-pentamethyldipropylenetriamine3,3'-BIS(DIMETHYLAMINOPROPYL)METHYLAMINEN,N,N',N',N'-PENTAMETHYLDIPROPYLENETRIAMINE
データベース識別子
- CAS
3855-32-1- PubChem CID
- 77463
- DTXSID
DTXSID1044564- ChEMBL
CHEMBL3183623- UNII
- R7P2U5FNE4
- EC Number
- 223-362-3
- Nikkaji
- J70.924G
物性
構造計算による物性
- XLogP
- 1.1
- 極性表面積
- 9.7 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 8
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 110
実験および物理化学的性質
Physical DescriptionLiquid
物理化学的性質
- 沸点
- 102 °C · 102 °C / 1mmHg
- 比重(密度)
- 0 · 0,83 g/cm3
- 蒸気圧
- 2 hPa · 2hPa at 10℃
- 屈折率
- 1.445 to · 1.4450 to 1.4480
- 闪点
- 92 °C · 92°C
- 貯蔵温度
- 2 · 2-8°C, protect from light
- 外見
- clear liquid
- 酸解離定数(Pka)
- 9.88 · 9.88±0.28(Predicted)
- 色
- Colorless to Yellow to Green
- 臭い (Odor)
- Fishy odor
- 水溶解度
- 193.9 g/L · 193.9g/L at 25℃
- InChI
- InChI=1S/C11H27N3/c1-12(2)8-6-10-14(5)11-7-9-13(3)4/h6-11H2,1-5H3
- InChIKey
- SKCNNQDRNPQEFU-UHFFFAOYSA-N
- SMILES
- C(N(CCCN(C)C)C)CCN(C)C
- LogP
- 0 at · 0 at 25℃
- CAS データベース
- 3855 · 3855-32-1(CAS DataBase Reference)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 2.5% (4 of 157) of reports.
Danger
H302 (96.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P262, P264, P264+P265, P270, P273, 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 157 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: 1,3-Propanediamine, N-[3-(dimethylamino)propyl]-N,N',N'-trimethyl-
1,3-Propanediamine, N1-[3-(dimethylamino)propyl]-N1,N3,N3-trimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Propanediamine, N1-[3-(dimethylamino)propyl]-N1,N3,N3-trimethyl- 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)
REACH registered substance: N-[3-(dimethylamino)propyl]-N,N',N'-trimethylpropane-1,3-diamine (EC: 223-362-3)
1,3-Propanediamine, N-[3-(dimethylamino)propyl]-N,N',N'-trimethyl-: 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 (96.8%)
毒性情報
EPA Provisional Peer-Reviewed Toxicity Values
Pentamethyl dipropylenetriamine
PDF Document
2011
安全データ
化学と産業
用途と製造
U.S. Production2023: 1,000,000 - <2,500,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesChemical reaction regulator
General Manufacturing Information
Custom Compounding of Purchased Resins
1,3-Propanediamine, N1-[3-(dimethylamino)propyl]-N1,N3,N3-trimethyl-: ACTIVE
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