基本情報
- CAS
69852-45-5- 標準SMILES
CN(C)CCCNCCC#N- InChIKey
YALMGFWDBZZMMB-UHFFFAOYSA-N- 分子式
- C8H17N3
- 平均分子量
- 155.24 g/mol
- 単同位体質量
- 155.14224754
名称と識別子
- 優先名称
- 3-((3-(Dimethylamino)propyl)amino)propanenitrile
- IUPAC
- 3-[3-(dimethylamino)propylamino]propanenitrile
- 現地名
- 3-[[3-(ジメチルアミノ)プロピル]アミノ]プロパンニトリル
- 英語名
- 3-[[3-(dimethylamino)propyl]amino]propiononitrile
- 分子式
- C8H17N3
- 分子量
- 155.24
名称と別名
3-{[3-(dimethylamino)propyl]amino}propanenitrile69852-45-5Araldite ZD4293-((3-(Dimethylamino)propyl)amino)propanenitrileDTXSID1044980UNII-3BY7SW35ETEINECS 274-159-13BY7SW35ETPropanenitrile, 3-((3-(dimethylamino)propyl)amino)-N-(2-Cyanoethyl)-3-(dimethylamino)propylamineN,N-Dimethyl-N'-cyanoethyl-1,3-diaminopropaneDTXCID9024980
名称をさらに表示
3-[[3-(ジメチルアミノ)プロピル]アミノ]プロパンニトリル3-((3-Dimethylaminopropyl)amino)propionitrilePropanenitrile, 3-3-(dimethylamino)propylamino-
Propanenitrile, 3-[[3-(dimethylamino)propyl]amino]-3-([3-(Dimethylamino)propyl]amino)propanenitrile3-[[3-(Dimethylamino)propyl]amino]propanenitrileRefChem:91991274-159-13-[[3-(Dimethylamino)propyl]amino]propiononitrile3-[3-(dimethylamino)propylamino]propanenitrile3-((3-(Dimethylamino)propyl)amino)propiononitrile
データベース識別子
- CAS
69852-45-5- PubChem CID
- 112322
- DTXSID
DTXSID1044980- ChEMBL
CHEMBL3182958- UNII
- 3BY7SW35ET
- EC Number
- 274-159-1
- Nikkaji
- J318.065D
物性
構造計算による物性
- XLogP
- -0.1
- 極性表面積
- 39.1 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 6
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 123
実験および物理化学的性質
Collision Cross Section130.8 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID1044980]
物理化学的性質
- 沸点
- 255.9 ℃[at · 255.9℃[at 101 325 Pa]
- 比重(密度)
- 0.908 · 0.908[at 20℃]
- 蒸気圧
- 3.4 Pa · 3.4Pa at 25℃
- 水溶解度
- 1000 g/L · 1000g/L at 20℃
- LogP
- -0.337 at · -0.337 at 23.3℃
- EPAの化学物質情報
- 3 · Propanenitrile, 3-[[3-(dimethylamino)propyl]amino]- (69852-45-5)
安全と法規制
GHS分類
GHS Classification
Danger
H302 (96.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 110 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
REACH registered substance: 3-[[3-(dimethylamino)propyl]amino]propiononitrile (EC: 274-159-1)
Propanenitrile, 3-3-(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 (96.4%)
安全データ
- tsca
- TSCA listed
- risk_code
- 36
- hazard_code
- Xi
- safety_code
- 26
化学と産業
用途と製造
General Manufacturing InformationPropanenitrile, 3-[[3-(dimethylamino)propyl]amino]-: ACTIVE
サプライヤー2 社
常州合晶化工有限公司85528066 13775048983 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
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化合物ノート
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