1,8-다이아미노옥테인

1,8-Octanediamine

HCID 24250CAS 373-44-4
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기본 정보

표준 SMILES
NCCCCCCCCN
InChIKey
PWGJDPKCLMLPJW-UHFFFAOYSA-N
분자식
C8H20N2
평균 분자량
144.26 g/mol
단동위원소 질량
144.16264864

개요

1,8-diaminooctane is an alkane-alpha,-diamine in which the two amino groups are separated by eight methylene groups. It derives from a hydride of an octane.

이름 및 식별자

우선 이름
1,8-Octanediamine
IUPAC
octane-1,8-diamine
현지명
1,8-다이아미노옥테인
영어명
1,8-Diaminooctane
분자식
C8H20N2
분자량
144.26

이름 및 동의어

1,8-Diaminooctaneoctane-1,8-diamine373-44-41,8-OctanediamineOctamethylenediamine1,8-Octylenediamine53A6694PIEDTXSID9073173CHEBI:73112RefChem:855909DTXCID5039309206-764-3
이름 더 보기
1,8-다이아미노옥테인1,8-다이아미노옥테인(1,8-DIAMINOOCTANE)OCTAMETHYLENDIAMINEXin diaMine8-Diaminooctane1,8-Oktandiamin1,8-diaMine XinFENTAMINE HP-821,8- Octylamine
1,8-OctamethylenediamineOCTANE 1,8-DIAMINEDiaminooctaneEINECS 206-764-3octamethylene diamineUNII-53A6694PIEBRN 1735426alpha,omega-diaminooctane

데이터베이스 식별자

CAS
373-44-4
PubChem CID
24250
DTXSID
DTXSID9073173
ChEMBL
CHEMBL29392
ChEBI
CHEBI:73112
UNII
53A6694PIE
EC Number
206-764-3
Nikkaji
J38.924B

물성

구조 계산 물성

XLogP
0.9
극성 표면적
52 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
2
회전 가능 결합 수
7
무거운 원자 수
10

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Amines, Aliphatic
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Physical DescriptionFaint yellow crystals, hygroscopic; [MSDSonline]

물리화학적 성질

녹는점
50 · 50-52 °C(lit.)
끓는 점
225 · 225-226 °C(lit.)
밀도
0.98 g/mL · 0.98 g/mL at 20 °C
증기압
0.1 hPa · <0.1 hPa (20 °C)
굴절률
1.4618 · 1.4618 (estimate)
인화점
329 °F · 329 °F

화학적 성질

white to yellowish solidified crystalline mass

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 156 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 1,8-Octanediamine

Status: Active Update: 13-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/12396

1,8-Diaminooctane: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCorrosive to the skin; Can cause chemical pneumonitis; [MSDSonline]
Hazard Classes and CategoriesAcute Tox. 4 (75%)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk
3
rtecs
RG8841500
ridadr
UN 3259 8/PG 3
독성
LD50 orally in Rabbit: 500 mg/kg
HS 번호
29212900
risk_code
34-36/37/38

화학 및 산업

용도 및 제조

UsesUsed to produce fungicides; [Ullmann]
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

응용 분야

용도1,8-Diaminooctane is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.

상·하류 제품 정보

공급사50 곳

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]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]

추가 설명

정의ChEBI: 1,8-diaminooctane is an alkane-alpha,omega-diamine in which the two amino groups are separated by eight methylene groups. It derives from a hydride of an octane.

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