基本情報
- CAS
67151-63-7- 標準SMILES
CC(O)CN(CCCN(C)C)CCCN(C)C- InChIKey
NWDRKFORNVPWLY-UHFFFAOYSA-N- 分子式
- C13H31N3O
- 平均分子量
- 245.4 g/mol
- 単同位体質量
- 245.24671262
名称と識別子
- 優先名称
- 1-{Bis[3-(dimethylamino)propyl]amino}propan-2-ol
- IUPAC
- 1-[bis[3-(dimethylamino)propyl]amino]propan-2-ol
- 現地名
- 1-[ビス[3-(ジメチルアミノ)プロピル]アミノ]-2-プロパノール
- 英語名
- 1-[Bis[3-(dimethylamino)propyl]amino]-2-propanol
- 分子式
- C13H31N3O
- 分子量
- 245.4
名称と別名
67151-63-71-[Bis[3-(dimethylamino)propyl]amino]-2-propanol1-(Bis(3-(dimethylamino)propyl)amino)propan-2-ol1-[bis[3-(dimethylamino)propyl]amino]propan-2-ol1-{Bis[3-(dimethylamino)propyl]amino}propan-2-ol1-(Bis(3-dimethylaminopropyl)amino)-2-propanolEINECS 266-587-2UNII-V3Z0042FN5DTXSID2044975V3Z0042FN52-Propanol, 1-(bis(3-(dimethylamino)propyl)amino)-EC 266-587-2
名称をさらに表示
1-[ビス[3-(ジメチルアミノ)プロピル]アミノ]プロパン-2-オール1-[ビス[3-(ジメチルアミノ)プロピル]アミノ]-2-プロパノール1-ビス[3-(ジメチルアミノ)プロピル]アミノ-2-プロパノールN,N-bis(3-dimethylaminopropyl)-N-isopropanol amineN,N-Bis(3-dimethylaminopropyl)4,4'-sulphonylbis[2-aminophenol1-(BIS(3-(DIMETHYLAMINO)PROPYL)AMINO)-1-(BIS(3-(DIMETHYLAMINO)PROPYL)AMINO)-2-Bis-(3-dimethylaminopropyl)-isopropanolaminebis-(3-Dimethylaminopropyl)imino-propan-2-olBis[3-(dimethylamino)propyl]amino-2-propanol2-Propanol, 1-bis3-(dimethylamino)propylamino-
DTXCID00249752-Propanol, 1-[bis[3-(dimethylamino)propyl]amino]-n,n-bis(3-dimethylaminopropyl)isopropanolamine1-(bis(3-(dimethylamino)propyl)amino)-2-propanolN,N-BIS(3-DIMETHYLAMINOPROPYL)-N-(2-HYDROXYPROPYL)AMINERefChem:74626266-587-2SCHEMBL15177
データベース識別子
- CAS
67151-63-7- PubChem CID
- 106705
- DTXSID
DTXSID2044975- ChEMBL
CHEMBL3183613- UNII
- V3Z0042FN5
- EC Number
- 266-587-2
- Nikkaji
- J310.203C
物性
構造計算による物性
- XLogP
- 0.8
- 極性表面積
- 30 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 4
- 回転可能結合数
- 10
- 重原子数
- 17
- 形式電荷
- 0
- 複雑度
- 160
実験および物理化学的性質
Physical DescriptionLiquid
Collision Cross Section158.1 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID2044975]
物理化学的性質
- 沸点
- 290 °C · 290 °C(lit.)
- 比重(密度)
- 0.89 g/mL · 0.89 g/mL at 25 °C(lit.)
- 蒸気圧
- 1.7 Pa · 1.7Pa at 20℃
- 屈折率
- 20 · n20/D 1.459(lit.)
- 闪点
- 230 °F · >230 °F
- 酸解離定数(Pka)
- 14.81 · 14.81±0.20(Predicted)
- 水溶解度
- 100 g/L · 100g/L at 20℃
- InChI
- InChI=1S/C13H31N3O/c1-13(17)12-16(10-6-8-14(2)3)11-7-9-15(4)5/h13,17H,6-12H2,1-5H3
- InChIKey
- NWDRKFORNVPWLY-UHFFFAOYSA-N
- SMILES
- C(N(CCCN(C)C)CCCN(C)C)C(O)C
- LogP
- 0.587 at · 0.587 at 22.6℃
- EPAの化学物質情報
- 2 · 2-Propanol, 1-[bis[3-(dimethylamino)propyl]amino]- (67151-63-7)
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 317 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
2-Propanol, 1-[bis[3-(dimethylamino)propyl]amino]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propanol, 1-[bis[3-(dimethylamino)propyl]amino]- 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: 1-[bis[3-(dimethylamino)propyl]amino]propan-2-ol (EC: 266-587-2)
2-Propanol, 1-bis3-(dimethylamino)propylamino-: 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%)
安全データ
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 2735 8/PG 3
- risk_code
- 20/21/22-34
- hazard_code
- C
- safety_code
- 23-26-27-36/37/39-45
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Corr. 1B
化学と産業
用途と製造
U.S. Production2023: 100,000 - <250,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
2-Propanol, 1-[bis[3-(dimethylamino)propyl]amino]-: ACTIVE
応用分野
使用Catalyst for low-density packaging foams. Contains terminal hydroxyl groups that can react with isocyanates.
サプライヤー61 社
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