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HCID 19313作成日：2026年11月4日

4-ブチル-1,2-ベンゼンジアミン

3,4-ジアミノ-1-ブチルベンゼン · 4-ブチル-1,2-ベンゼンジアミン · 4-Butylbenzol-1,2-diamin · 4-Butyl-1,2-benzenediamine · 3,4-Diamino-1-butylbenzene · 4-butylbenzene-1,2-diamine · 1,2-BENZENEDIAMINE,4-BUTYL- · 4-butylbenzene-1,2-diamine C10H16N2 164.25

https://huagongshe.com/ja/chemical/19313

識別子と物理属性

CAS No.	3663-23-8
分子式	C10H16N2
平均分子量	164.25 g/mol
単同位体質量	164.13134851 g/mol
SMILES	CCCCc1ccc(N)c(N)c1
InChIKey	WQEGHHLKDKIWKM-UHFFFAOYSA-N
PubChem CID	19313
EC No.	222-917-7
DTXSID	DTXSID3063120
現地名	4-ブチル-1,2-ベンゼンジアミン

化学・物理的性質

XLogP	2.1
極性表面積	52
水素結合供与体数	2
水素結合受容体数	2
回転可能結合数	3
重原子数	12
形式電荷	0
複雑度	125
物質分類	Nitrogen Compounds -> Amines, Aromatic
蒸気圧	0.000174 [mmHg]
融点	38 °C
沸点	302.3±22.0 °C(Predicted)
密度	1.027±0.06 g/cm3(Predicted)
pKa（酸解離定数）	4.46±0.10(Predicted)
EPAの化学物質情報	1,2-Benzenediamine, 4-butyl- (3663-23-8)

安全性と法規制

有害性の概要	Emergency treatment: Methemoglobinemia[HSDB]
Special Reports	EVIDENCE IS GIVEN SUPPORTING TESTING OF THE CLASS OF COMPOUNDS PHENYLENEDIAMINES FOR THEIR TOXIC EFFECTS ON HUMAN HEALTH AND THE ENVIRONMENT. THE RESULTS OF TOXICITY TESTING OF 22 COMPOUNDS ARE TABULATED AS ARE THE EFFECTS FOR WHICH TESTING IS BEING CONSIDERED FOR 13 COMPOUNDS, AND THE USES OR POTENTIAL USES OF 47 PHENYLENEDIAMINES.[UNITED STATES EPAPHENYLENEDIAMINESRESPONSE TO INTERAGENCY TESTING COMMITTEEFED REGIST 47(5) 973 (1982)]
TSCA 要件	Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. 4-Butyl-1,2-benzenediamine is included on this list.
処分方法	SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
有害作用	Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect
TSCA 収載状態	TSCA listed
有害物質データ	3663-23-8(Hazardous Substances Data)

4-ブチル-1,2-ベンゼンジアミン

CAS No.

3663-23-8

分子式

C10H16N2

平均分子量

164.25 g/mol

単同位体質量

164.13134851 g/mol

SMILES

CCCCc1ccc(N)c(N)c1

InChIKey

WQEGHHLKDKIWKM-UHFFFAOYSA-N

PubChem CID

19313

EC No.

222-917-7

DTXSID

DTXSID3063120

現地名

4-ブチル-1,2-ベンゼンジアミン

化学・物理的性質

XLogP

2.1

極性表面積

水素結合供与体数

水素結合受容体数

回転可能結合数

重原子数

形式電荷

複雑度

125

物質分類

Nitrogen Compounds -> Amines, Aromatic

蒸気圧

0.000174 [mmHg]

融点

38 °C

沸点

302.3±22.0 °C(Predicted)

密度

1.027±0.06 g/cm3(Predicted)

pKa（酸解離定数）

4.46±0.10(Predicted)

EPAの化学物質情報

1,2-Benzenediamine, 4-butyl- (3663-23-8)

安全性と法規制

有害性の概要

Emergency treatment: Methemoglobinemia[HSDB]

Special Reports

EVIDENCE IS GIVEN SUPPORTING TESTING OF THE CLASS OF COMPOUNDS PHENYLENEDIAMINES FOR THEIR TOXIC EFFECTS ON HUMAN HEALTH AND THE ENVIRONMENT. THE RESULTS OF TOXICITY TESTING OF 22 COMPOUNDS ARE TABULATED AS ARE THE EFFECTS FOR WHICH TESTING IS BEING CONSIDERED FOR 13 COMPOUNDS, AND THE USES OR POTENTIAL USES OF 47 PHENYLENEDIAMINES.[UNITED STATES EPAPHENYLENEDIAMINESRESPONSE TO INTERAGENCY TESTING COMMITTEEFED REGIST 47(5) 973 (1982)]

TSCA 要件

Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. 4-Butyl-1,2-benzenediamine is included on this list.

処分方法

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

有害作用

Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect

TSCA 収載状態

TSCA listed

有害物質データ

3663-23-8(Hazardous Substances Data)