ホームMCPワークベンチSkills
ホームワークベンチ通知マイページ
化工社オープンプロジェクト:[email protected]AIアクセス:llms.txt · MCPガイドプライバシーポリシー · 利用規約 · サポートv1.7.8
  1. ホーム
  2. /化合物

N-ブチル-N-(4-ヒドロキシブチル)ニトロソアミン

N-butyl-N-(4-hydroxybutyl)nitrosamine

HCID 19665
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
3817-11-6
標準SMILES
CCCCN(CCCCO)N=O
InChIKey
DIKPQFXYECAYPC-UHFFFAOYSA-N
分子式
C8H18N2O2
平均分子量
174.24 g/mol
単同位体質量
174.13682782

概要

4-hydroxybutylbutylnitrosamine is a dark red liquid. (NTP, 1992)

名称と識別子

優先名称
N-butyl-N-(4-hydroxybutyl)nitrosamine
IUPAC
N-butyl-N-(4-hydroxybutyl)nitrous amide
現地名
N-ブチル-N-(4-ヒドロキシブチル)ニトロソアミン
英語名
N-N-Butyl-N-butan-4-ol-nitrosamine
分子式
C8H18N2O2
分子量
174.24

名称と別名

N-Butyl-N-(4-hydroxybutyl)nitrosamine3817-11-6ButylhydroxybutylnitrosamineN-Nitrosobutylbutanolamine4-(Butylnitrosamino)-1-butanol4-(Butylnitrosoamino)butanolButylbutanolnitrosamineN-Butyl-(4-hydroxybutyl)nitrosamineButanol (4)-butyl-nitrosamineN-Nitroso-N-butyl-(4-hydroxybutyl)amine4-(N-Butylnitrosamino)-1-butanolButyl(4-hydroxybutyl)nitrosamine
名称をさらに表示
N-ブチル-N-(4-ヒドロキシブチル)ニトロソアミンブチル(4-ヒドロキシブチル)ニトロソアミン4-[ブチル(ニトロソ)アミノ]-1-ブタノールN-ブチル-N-(4-ヒドロキシブチル)-ニトロソアミン4-[ニトロソ(ブチル)アミノ]-1-ブタノール4-(ニトロソブチルアミノ)-1-ブタノールN-ニトロソ-N-ブチル-4-ヒドロキシ-1-ブタンアミン4-(ブチルニトロソアミノ)-1-ブタノールN-ブチル-N-(4-ヒドロキシブチル)ニトロサミンN-ニトロソ(4-ヒドロキシブチル)ブチルアミンN-ブチル-N-ニトロソ-4-アミノブタノールN-ブチル-N-ブタン-4-オール-ニトロソアミン4-(ブチルニトロソアミノ)ブタン-1-オールBBN4-[ブチル(ニトロソ)アミノ]ブタン-1-オールN-(4-ヒドロキシブチル)-N-ブチル-N-ニトロソアミン

物性

構造計算による物性

XLogP
1.4
極性表面積
52.9 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
7
重原子数
12
形式電荷
0
複雑度
109

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Nitrosamines
Solubility10 to 50 mg/mL at 64 °F (NTP, 1992)
Physical Description · 2 件

4-hydroxybutylbutylnitrosamine is a dark red liquid. (NTP, 1992)

Dark red liquid; [CAMEO]

物理化学的性質

沸点
167 °C · 167 °C / 5mmHg
比重(密度)
1.01 · 1.01
屈折率
1.47 · 1.4700-1.4740
闪点
147 °C · 147 °C
貯蔵温度
2 · 2-8°C
外見
clear liquid
酸解離定数(Pka)
15.03 · 15.03±0.10(Predicted)
色
Light yellow to Amber to Dark green
安定性
安定
InChI
1S/C8H18N2O2/c1-2-3-6-10(9-12)7-4-5-8-11/h11H,2-8H2,1H3
InChIKey
DIKPQFXYECAYPC-UHFFFAOYSA-N
SMILES
N(N=O)(CCCCO)CCCC
EPAの化学物質情報
4 · 4-(Butylnitrosoamino)butanol (3817-11-6)

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 · 4 件

Danger

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

P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

DOT LabelPoison
Fire HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Health HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Hazards Summary · 1 件

Causes vascular changes and hemorrhages in subcutaneous lethal-dose studies of hamsters; Causes muscle weakness, bladder inflammation, and tumors of the kidney and bladder in 20-week constant oral studies of mice and rats; [RTECS] May cause irritation; Harmful by ingestion; May cause cancer; [Sigma-Aldrich MSDS] See NITROSAMINES.

Reactive GroupAlcohols and Polyols
Reactivity Profile · 1 件

A hydroxylated and nitrated amine. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.

Air and Water Reactions

化学と産業

応用分野

使用N-Butyl-N-(4-hydroxybutyl)nitrosamine (BBN), a carcinogen, is used to induce histiologically relevant aggressive urinary bladder cancer in animal models.

一般的な説明Dark red liquid.

サプライヤー48 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
焦作沃恩生物科技有限责任公司0391-3702345 18739121806 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
TargetMol 中国(陶术生物)

関連反応

0 件
反応記録を作成

現在のフィルター条件では反応記録がありません。

化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
BBN
Hbbn
Nbha
Bhbn
Bbnoh
Oh-bbn
butyl-butanol-nitrosamine
CHEBI:91275n-butyl-n-(4-hydroxybutyl) nitrosamineRefChem:388849N Nitrosobutyl 4 hydroxybutylamineN-Nitrosobutyl-4-hydroxybutylamine1-Butanol, 4-(butylnitrosoamino)-N-butyl-N-(4-hydroxybutyl)nitrous amide4-[butyl(nitroso)amino]butan-1-ol

データベース識別子

CAS
3817-11-6
PubChem CID
19665
DTXSID
DTXSID2020210
ChEMBL
CHEMBL164923
ChEBI
CHEBI:91275
UNII
R2748J2P6S
EC Number
625-015-5
Nikkaji
J2.198I

化学的性質

化学的特性red liquid

Water soluble.
Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全と保護具

Fire FightingExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
First Aid · 1 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: If you should spill this chemical, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Personal Protective Equipment (PPE) · 1 件

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

安全データ

wgk
3
rtecs
EL1225000
hs_code
2929.90.5090
risk_code
45-22
消防法
危-4-3-III
hazard_code
T
safety_code
53
Hazard Classifications
Acute Tox. 4 OralCarc. 1B
ストレージクラス
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
400-821-0310 15002144251 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
九鼎化学(上海)科技有限公司4009209199 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
西安莱茵生物科技有限公司86-(0)29-85992781 17792393971 · [email protected]
Novachemistry44-20819178-90 02081917890 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
上海臻励生物科技有限公司021-16621358918; 18516310516;16621358918;13045646768 · [email protected]
上海易恩化学技术有限公司400-400-1332688 18019345275 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
Aladdin Scientific[email protected]
TargetMol中国(陶术生物)4008200310 15002144251 · [email protected]
上海安谱实验科技股份有限公司18502138905 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
郑州安慕斯化工产品有限公司15981811963 18737195735 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
广州优南科技有限公司020-82000279 18988941452 · [email protected]

補足説明

定義ChEBI: A nitrosamine that has butyl and 4-hydroxybutyl substituents. In mice, it causes high-grade, invasive cancers in the urinary bladder, but not in any other tissues.