3-ジメチルアミノ安息香酸

3-(Dimethylamino)benzoic acid

HCID 66837
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基本情報

CAS
99-64-9
標準SMILES
CN(C)c1cccc(C(=O)O)c1
InChIKey
NEGFNJRAUMCZMY-UHFFFAOYSA-N
分子式
C9H11NO2
平均分子量
165.19 g/mol
単同位体質量
165.07897859

名称と識別子

優先名称
3-(Dimethylamino)benzoic acid
IUPAC
3-(dimethylamino)benzoic acid
現地名
3-ジメチルアミノ安息香酸
英語名
3-(Dimethylamino)benzoic acid
分子式
C9H11NO2
分子量
165.19

名称と別名

3-(Dimethylamino)benzoic acid99-64-93-Dimethylaminobenzoic acidBenzoic acid, 3-(dimethylamino)-m-(Dimethylamino)benzoic acidN,N-Dimethyl-m-aminobenzoic acidBenzoic acid, m-(dimethylamino)-NSC-7197M47AQ3FS7EDTXSID7059199RefChem:926333-DMAB
名称をさらに表示
3-ジメチルアミノ安息香酸3ジメチルアミノ安息香酸M-(ジメチルアミノ)安息香酸ｍジメチルアミノ安息香酸3-(ジメチルアミノ)安息香酸M‐(ジメチルアミノ)安息香酸M-ジメチルアミノ安息香酸3-ジメチルアミノ安息香酸, 98%3-(Dimethylamino)ben3-DimethylaminobenzoicM-dimetylaminobenzoic acidDiMethyl aMinobenzoic acid3-Diaminomethylbenzoic acidTwoMethyl aMinobenzoic acid3-DIMETHYLAMINO-BENZOESAEURE3-(N,N-Dimethylamino)benzoic
DTXCID0049109202-775-2MFCD000024973-(dimethylamino) benzoic acid3-N,N-Dimethylaminobenzoic acidm-DIMETHYLAMINOBENZOIC ACID3-dimethylamino benzoic acid3-(Dimethylamino)benzoicAcid

データベース識別子

CAS
99-64-9
PubChem CID
66837
DTXSID
DTXSID7059199
ChEMBL
CHEMBL111877
UNII
M47AQ3FS7E
EC Number
202-775-2
Nikkaji
J37.726K

物性

構造計算による物性

XLogP
1.6
極性表面積
40.5 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
2
重原子数
12

実験および物理化学的性質

Physical DescriptionYellow powder; [Alfa Aesar MSDS]
Ionization Efficiency · 6 件

Positive

2.48

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

物理化学的性質

融点
148 · 148-150 °C(lit.)
沸点
293.03 °C · 293.03°C (rough estimate)
比重(密度)
1.1603 · 1.1603 (rough estimate)
屈折率
1.52 · 1.5200 (estimate)
貯蔵温度
30 °C · Store below +30°C.
溶解性
50 mg/mL, · methanol: 50mg/mL, clear to very slightly hazy, yellow to brown

化学的性質

化学的特性Light yellow to yellow-beige crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory InformationBenzoic acid, 3-(dimethylamino)-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant; [Alfa Aesar MSDS] See m-Aminobenzoic acid.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)

法規制情報

Regulatory InformationBenzoic acid, 3-(dimethylamino)-: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk
3
tsca
TSCA listed
hs_code
29224995
risk_code
36/37/38
化審法
(3)-1455
hazard_code
Xi

化学と産業

用途と製造

General Manufacturing InformationBenzoic acid, 3-(dimethylamino)-: INACTIVE

応用分野

用途有機合成原料。

使用3-(Dimethylamino)benzoic acid has been used to analyse glucose content from the extraction of starch and soluble sugars.

上流・下流製品情報

サプライヤー100 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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